4-piperidin-1-ylpyrimidine-2-carbonitrile

C10H12N4 — CID 130587546

IUPAC4-piperidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCCCC2)n1
InChIInChI=1S/C10H12N4/c11-8-9-12-5-4-10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyXUNRFPOUKJZRHF-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.34
Rot. Bonds1

About 4-piperidin-1-ylpyrimidine-2-carbonitrile

4-piperidin-1-ylpyrimidine-2-carbonitrile (PubChem CID 130587546) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-piperidin-1-ylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-piperidin-1-ylpyrimidine-2-carbonitrile
PubChem CID130587546
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-piperidin-1-ylpyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCCCC2)n1
InChIInChI=1S/C10H12N4/c11-8-9-12-5-4-10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2
InChIKeyXUNRFPOUKJZRHF-UHFFFAOYSA-N
XLogP1.34
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-yl)pyrimidine-2-carbonitrile
CID 126984085
4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile
CID 130587758
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile
CID 59569258
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
[4-(azocan-1-yl)pyrimidin-2-yl]hydrazine
CID 80932713
4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
CID 175640213
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylpyrimidine-2-carbonitrile?
The IUPAC name of 4-piperidin-1-ylpyrimidine-2-carbonitrile (CID 130587546) is 4-piperidin-1-ylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-piperidin-1-ylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-piperidin-1-ylpyrimidine-2-carbonitrile is N#Cc1nccc(N2CCCCC2)n1.
What is the InChIKey of 4-piperidin-1-ylpyrimidine-2-carbonitrile?
The InChIKey is XUNRFPOUKJZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-8-9-12-5-4-10(13-9)14-6-2-1-3-7-14/h4-5H,1-3,6-7H2.
What are the key properties of 4-piperidin-1-ylpyrimidine-2-carbonitrile?
4-piperidin-1-ylpyrimidine-2-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylpyrimidine-2-carbonitrile is sourced from PubChem (CID 130587546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).