ISDA: 5S7A

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: T5V

IUPAC Name: pyrimidin-5-amine

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cncnc1

InChI: InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

InChI Key: CZPWVGJYEJSRLH-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C4 H5 N3

Molecular weight: 95.103

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 7

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	pyrimidin-5-amine
OpenEye OEToolkits	2.0.7	pyrimidin-5-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1cncc(N)c1
InChI	InChI	1.03	InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2
InChIKey	InChI	1.03	FVLAYJRLBLHIPV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Nc1cncnc1
SMILES	CACTVS	3.385	Nc1cncnc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(cncn1)N
SMILES	OpenEye OEToolkits	2.0.7	c1c(cncn1)N

Chemical Database Mapping

Database	Reference ID
PubChem	344373
ChEBI	CHEBI:38619
SureChEMBL	97781
HMDB	HMDB0246752