4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile

C13H18N4 — CID 112755133

IUPAC4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C13H18N4/c1-10-15-8-11(7-14)12(16-10)17-6-4-5-13(2,3)9-17/h8H,4-6,9H2,1-3H3
InChIKeyYANADXAPGWXSGZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds1

About 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile

4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile (PubChem CID 112755133) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile
PubChem CID112755133
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile
SMILESCc1ncc(C#N)c(N2CCCC(C)(C)C2)n1
InChIInChI=1S/C13H18N4/c1-10-15-8-11(7-14)12(16-10)17-6-4-5-13(2,3)9-17/h8H,4-6,9H2,1-3H3
InChIKeyYANADXAPGWXSGZ-UHFFFAOYSA-N
XLogP2.28
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-2-(4,4-dimethylazepan-1-yl)-4-methylpyridine-3-carboxamide
CID 170207571
4-(3,3-dimethylpiperidin-1-yl)-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 133460728
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
CID 79632418
2-(3,3-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine
CID 66278455
2-methyl-4-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 112755977
4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide
CID 112755799
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
CID 167090091
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
CID 114837131
1-(5-cyano-2-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 112755982
2-(4,4-dimethylazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65280859
2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
CID 107404520

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile (CID 112755133) is 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile is Cc1ncc(C#N)c(N2CCCC(C)(C)C2)n1.
What is the InChIKey of 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile?
The InChIKey is YANADXAPGWXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-15-8-11(7-14)12(16-10)17-6-4-5-13(2,3)9-17/h8H,4-6,9H2,1-3H3.
What are the key properties of 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile?
4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 112755133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).