3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile

C14H20N4 — CID 116895150

IUPAC3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile
SMILESCc1cc(C2CCN(C)CC2)nc(CCC#N)n1
InChIInChI=1S/C14H20N4/c1-11-10-13(12-5-8-18(2)9-6-12)17-14(16-11)4-3-7-15/h10,12H,3-6,8-9H2,1-2H3
InChIKeyKNZCHDOBUDBISQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.05
Rot. Bonds3

About 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile

3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile (PubChem CID 116895150) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile
PubChem CID116895150
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile
SMILESCc1cc(C2CCN(C)CC2)nc(CCC#N)n1
InChIInChI=1S/C14H20N4/c1-11-10-13(12-5-8-18(2)9-6-12)17-14(16-11)4-3-7-15/h10,12H,3-6,8-9H2,1-2H3
InChIKeyKNZCHDOBUDBISQ-UHFFFAOYSA-N
XLogP2.05
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893070
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanoic acid
CID 116894130
2-methoxy-4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine
CID 116896890
3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile
CID 116895090
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
4-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116968995
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
N-[[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893231
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
CID 116894013
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
CID 116894539
3-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]propanenitrile
CID 116895123

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile?
The IUPAC name of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile (CID 116895150) is 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile.
What is the SMILES notation for 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile?
The canonical SMILES for 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile is Cc1cc(C2CCN(C)CC2)nc(CCC#N)n1.
What is the InChIKey of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile?
The InChIKey is KNZCHDOBUDBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-10-13(12-5-8-18(2)9-6-12)17-14(16-11)4-3-7-15/h10,12H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile?
3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-yl]propanenitrile is sourced from PubChem (CID 116895150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).