6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile

C12H14N6 — CID 107544443

IUPAC6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H14N6/c1-9-6-10(7-13)16-12(15-9)18(3)8-11-14-4-5-17(11)2/h4-6H,8H2,1-3H3
InChIKeyIJFOOGBFWRJGPV-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.03
Rot. Bonds3

About 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile

6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile (PubChem CID 107544443) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
PubChem CID107544443
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H14N6/c1-9-6-10(7-13)16-12(15-9)18(3)8-11-14-4-5-17(11)2/h4-6H,8H2,1-3H3
InChIKeyIJFOOGBFWRJGPV-UHFFFAOYSA-N
XLogP1.03
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]methanol
CID 114219897
2,6-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
CID 81061250
4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 55151643
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 107541978
N,4-dimethyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 63026391
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
6,8-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]quinoline-3-carbonitrile
CID 133431926
6-fluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinolin-4-amine
CID 133432083
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzonitrile
CID 78911727
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696115
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547407
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile (CID 107544443) is 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N(C)Cc2nccn2C)n1.
What is the InChIKey of 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile?
The InChIKey is IJFOOGBFWRJGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-9-6-10(7-13)16-12(15-9)18(3)8-11-14-4-5-17(11)2/h4-6H,8H2,1-3H3.
What are the key properties of 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile?
6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).