4-cyclohexyl-6-propylpyrimidine-2-carbonitrile

C14H19N3 — CID 11622731

IUPAC4-cyclohexyl-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(C2CCCCC2)nc(C#N)n1
InChIInChI=1S/C14H19N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h9,11H,2-8H2,1H3
InChIKeyWGTHPYHNMKDPLN-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.35
Rot. Bonds3

About 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile

4-cyclohexyl-6-propylpyrimidine-2-carbonitrile (PubChem CID 11622731) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-cyclohexyl-6-propylpyrimidine-2-carbonitrile
PubChem CID11622731
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-cyclohexyl-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(C2CCCCC2)nc(C#N)n1
InChIInChI=1S/C14H19N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h9,11H,2-8H2,1H3
InChIKeyWGTHPYHNMKDPLN-UHFFFAOYSA-N
XLogP3.35
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile?
The IUPAC name of 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile (CID 11622731) is 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile is CCCc1cc(C2CCCCC2)nc(C#N)n1.
What is the InChIKey of 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile?
The InChIKey is WGTHPYHNMKDPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-6-12-9-13(17-14(10-15)16-12)11-7-4-3-5-8-11/h9,11H,2-8H2,1H3.
What are the key properties of 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile?
4-cyclohexyl-6-propylpyrimidine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-propylpyrimidine-2-carbonitrile is sourced from PubChem (CID 11622731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).