6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile

C11H14N4O — CID 107543287

IUPAC6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCOC(C)C2)n1
InChIInChI=1S/C11H14N4O/c1-8-5-10(6-12)14-11(13-8)15-3-4-16-9(2)7-15/h5,9H,3-4,7H2,1-2H3
InChIKeyQFYLMODGIMTIEK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.88
Rot. Bonds1

About 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile

6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile (PubChem CID 107543287) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
PubChem CID107543287
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N2CCOC(C)C2)n1
InChIInChI=1S/C11H14N4O/c1-8-5-10(6-12)14-11(13-8)15-3-4-16-9(2)7-15/h5,9H,3-4,7H2,1-2H3
InChIKeyQFYLMODGIMTIEK-UHFFFAOYSA-N
XLogP0.88
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
6-methyl-2-[(6S)-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]pyrimidine-4-carbonitrile
CID 164634428
2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
CID 107548775
2-[1-(4-cyano-6-methylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 107543051
2-[4-(cyanomethyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107543240
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-methylmorpholine
CID 67190024
6-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552489
2-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552401
6-methyl-2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544516
2-(2,6-dimethylpyrimidin-4-yl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 110115953
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-methylpyrimidine-4-carbonitrile
CID 107552749
4-(2-methylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764638

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile (CID 107543287) is 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N2CCOC(C)C2)n1.
What is the InChIKey of 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile?
The InChIKey is QFYLMODGIMTIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-5-10(6-12)14-11(13-8)15-3-4-16-9(2)7-15/h5,9H,3-4,7H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile?
6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylmorpholin-4-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).