2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile

C12H12N6 — CID 115266775

IUPAC2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESCc1nc(NCC#N)cc(Nc2cccnc2)n1
InChIInChI=1S/C12H12N6/c1-9-16-11(15-6-4-13)7-12(17-9)18-10-3-2-5-14-8-10/h2-3,5,7-8H,6H2,1H3,(H2,15,16,17,18)
InChIKeyQQEFTLFYJZHKKB-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.86
Rot. Bonds4

About 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile

2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115266775) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile
PubChem CID115266775
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile
SMILESCc1nc(NCC#N)cc(Nc2cccnc2)n1
InChIInChI=1S/C12H12N6/c1-9-16-11(15-6-4-13)7-12(17-9)18-10-3-2-5-14-8-10/h2-3,5,7-8H,6H2,1H3,(H2,15,16,17,18)
InChIKeyQQEFTLFYJZHKKB-UHFFFAOYSA-N
XLogP1.86
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile
CID 115266870
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
2-[[2-methyl-6-[(3-methylthiophen-2-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115266783
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
3-[[6-(benzylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112871646
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
2-methyl-4-N-(4-piperidin-1-ylphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873481
2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264796
4-N-(2,3-dimethylphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873428

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile (CID 115266775) is 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile is Cc1nc(NCC#N)cc(Nc2cccnc2)n1.
What is the InChIKey of 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is QQEFTLFYJZHKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-9-16-11(15-6-4-13)7-12(17-9)18-10-3-2-5-14-8-10/h2-3,5,7-8H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile?
2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115266775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).