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

C14H16N6 — CID 115266870

IUPAC2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCc1nc(Nc2cccnc2)cc(NC(C)(C)C#N)n1
InChIInChI=1S/C14H16N6/c1-10-17-12(19-11-5-4-6-16-8-11)7-13(18-10)20-14(2,3)9-15/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyZOPVFYSNGDRXSY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.64
Rot. Bonds4

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

2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile (PubChem CID 115266870) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile
PubChem CID115266870
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile
SMILESCc1nc(Nc2cccnc2)cc(NC(C)(C)C#N)n1
InChIInChI=1S/C14H16N6/c1-10-17-12(19-11-5-4-6-16-8-11)7-13(18-10)20-14(2,3)9-15/h4-8H,1-3H3,(H2,17,18,19,20)
InChIKeyZOPVFYSNGDRXSY-UHFFFAOYSA-N
XLogP2.64
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266775
2-methyl-6-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 114765647
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
4-N-tert-butyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112875910
4-N-tert-butyl-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875932
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
3-[[6-(4-tert-butylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877795
4-N-tert-butyl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112875999
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
4-N-tert-butyl-6-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112875919
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987
6-N-(1,3-benzodioxol-5-yl)-4-N-tert-butyl-2-methylpyrimidine-4,6-diamine
CID 112875985

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile?
The IUPAC name of 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile (CID 115266870) is 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile is Cc1nc(Nc2cccnc2)cc(NC(C)(C)C#N)n1.
What is the InChIKey of 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile?
The InChIKey is ZOPVFYSNGDRXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-10-17-12(19-11-5-4-6-16-8-11)7-13(18-10)20-14(2,3)9-15/h4-8H,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile?
2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile has a molecular weight of 268.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]propanenitrile is sourced from PubChem (CID 115266870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).