2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile

C13H14N6 — CID 14022910

IUPAC2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(C)nc(NCc2cccnc2)c1C#N
InChIInChI=1S/C13H14N6/c1-9-18-12(15-2)11(6-14)13(19-9)17-8-10-4-3-5-16-7-10/h3-5,7H,8H2,1-2H3,(H2,15,17,18,19)
InChIKeyLNIWELHFXDIYRW-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.71
Rot. Bonds4

About 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile

2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile (PubChem CID 14022910) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
PubChem CID14022910
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile
SMILESCNc1nc(C)nc(NCc2cccnc2)c1C#N
InChIInChI=1S/C13H14N6/c1-9-18-12(15-2)11(6-14)13(19-9)17-8-10-4-3-5-16-7-10/h3-5,7H,8H2,1-2H3,(H2,15,17,18,19)
InChIKeyLNIWELHFXDIYRW-UHFFFAOYSA-N
XLogP1.71
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Amprolium Hydrochloride
CID 8732
2-(Benzylamino)pyridine
CID 23362
2,2'-Dipyridylamine
CID 14547
Amprolium
CID 73341
Msx-122
CID 11687907
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
Amprolium ion
CID 2178
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
Bisanilinopyrimidine, 6g
CID 70702138
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile (CID 14022910) is 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile is CNc1nc(C)nc(NCc2cccnc2)c1C#N.
What is the InChIKey of 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
The InChIKey is LNIWELHFXDIYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-9-18-12(15-2)11(6-14)13(19-9)17-8-10-4-3-5-16-7-10/h3-5,7H,8H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile?
2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 14022910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).