5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile

C15H21N3 — CID 19380532

IUPAC5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile
SMILESCCCCC1CCC(c2cnc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3/c1-2-3-4-12-5-7-13(8-6-12)14-10-17-15(9-16)18-11-14/h10-13H,2-8H2,1H3
InChIKeyFJIUXYBHQMPCHW-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.81
Rot. Bonds4

About 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile

5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile (PubChem CID 19380532) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile
PubChem CID19380532
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile
SMILESCCCCC1CCC(c2cnc(C#N)nc2)CC1
InChIInChI=1S/C15H21N3/c1-2-3-4-12-5-7-13(8-6-12)14-10-17-15(9-16)18-11-14/h10-13H,2-8H2,1H3
InChIKeyFJIUXYBHQMPCHW-UHFFFAOYSA-N
XLogP3.81
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile?
The IUPAC name of 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile (CID 19380532) is 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile is CCCCC1CCC(c2cnc(C#N)nc2)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile?
The InChIKey is FJIUXYBHQMPCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-4-12-5-7-13(8-6-12)14-10-17-15(9-16)18-11-14/h10-13H,2-8H2,1H3.
What are the key properties of 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile?
5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 19380532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).