4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile

C19H21N3 — CID 46881449

IUPAC4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2cccc(C3CCCC3)c2)nc(C#N)n1
InChIInChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3
InChIKeyASFRYMKNZGDSTP-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.63
Rot. Bonds4

About 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile

4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile (PubChem CID 46881449) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile
PubChem CID46881449
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile
SMILESCCCc1cc(-c2cccc(C3CCCC3)c2)nc(C#N)n1
InChIInChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3
InChIKeyASFRYMKNZGDSTP-UHFFFAOYSA-N
XLogP4.63
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile?
The IUPAC name of 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile (CID 46881449) is 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile?
The canonical SMILES for 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile is CCCc1cc(-c2cccc(C3CCCC3)c2)nc(C#N)n1.
What is the InChIKey of 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile?
The InChIKey is ASFRYMKNZGDSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-6-17-12-18(22-19(13-20)21-17)16-10-5-9-15(11-16)14-7-3-4-8-14/h5,9-12,14H,2-4,6-8H2,1H3.
What are the key properties of 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile?
4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile has a molecular weight of 291.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylphenyl)-6-propylpyrimidine-2-carbonitrile is sourced from PubChem (CID 46881449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).