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

C13H14N6 — CID 115266204

IUPAC2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC#N)c1cc(N(C)c2ccncc2)ncn1
InChIInChI=1S/C13H14N6/c1-18(8-5-14)12-9-13(17-10-16-12)19(2)11-3-6-15-7-4-11/h3-4,6-7,9-10H,8H2,1-2H3
InChIKeyXGMPWLLXNXZPCJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.60
Rot. Bonds4

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

2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115266204) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
PubChem CID115266204
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC#N)c1cc(N(C)c2ccncc2)ncn1
InChIInChI=1S/C13H14N6/c1-18(8-5-14)12-9-13(17-10-16-12)19(2)11-3-6-15-7-4-11/h3-4,6-7,9-10H,8H2,1-2H3
InChIKeyXGMPWLLXNXZPCJ-UHFFFAOYSA-N
XLogP1.60
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264833
2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
CID 115266206
2-[[6-[(4-bromothiophen-2-yl)-methylamino]pyrimidin-4-yl]-methylamino]acetonitrile
CID 115266198
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479
2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115266208
2-[methyl-[6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266213
2-[methyl-[6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266242
2-[methyl-[6-(1H-pyrrol-3-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266173
4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
4-[(6-chloropyrimidin-4-yl)-methylamino]benzonitrile
CID 62982188
4-N,4-N-diethyl-6-N-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112863464
acetonitrile;N,N-dimethylpyridin-4-amine
CID 160806419

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile (CID 115266204) is 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile is CN(CC#N)c1cc(N(C)c2ccncc2)ncn1.
What is the InChIKey of 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is XGMPWLLXNXZPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-18(8-5-14)12-9-13(17-10-16-12)19(2)11-3-6-15-7-4-11/h3-4,6-7,9-10H,8H2,1-2H3.
What are the key properties of 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile?
2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115266204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).