5-(4-propylphenyl)pyrimidine

C13H14N2 — CID 89220429

IUPAC5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H14N2/c1-2-3-11-4-6-12(7-5-11)13-8-14-10-15-9-13/h4-10H,2-3H2,1H3
InChIKeyNFUCHAJJOPOVJM-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.10
Rot. Bonds3

About 5-(4-propylphenyl)pyrimidine

5-(4-propylphenyl)pyrimidine (PubChem CID 89220429) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(4-propylphenyl)pyrimidine.

Molecular Properties

Compound Name5-(4-propylphenyl)pyrimidine
PubChem CID89220429
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-(4-propylphenyl)pyrimidine
SMILESCCCc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C13H14N2/c1-2-3-11-4-6-12(7-5-11)13-8-14-10-15-9-13/h4-10H,2-3H2,1H3
InChIKeyNFUCHAJJOPOVJM-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-propylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-pentylphenyl)pyrimidine
CID 56629303
4-(4-pyrimidin-5-ylphenyl)butan-2-amine
CID 82542215
5-(4-methylphenyl)pyrimidine;propane
CID 145118133
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
2-fluoro-5-[4-(4-propylphenyl)phenyl]pyridine
CID 19765553
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine
CID 20625407
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylphenyl)pyrimidine?
The IUPAC name of 5-(4-propylphenyl)pyrimidine (CID 89220429) is 5-(4-propylphenyl)pyrimidine.
What is the SMILES notation for 5-(4-propylphenyl)pyrimidine?
The canonical SMILES for 5-(4-propylphenyl)pyrimidine is CCCc1ccc(-c2cncnc2)cc1.
What is the InChIKey of 5-(4-propylphenyl)pyrimidine?
The InChIKey is NFUCHAJJOPOVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-3-11-4-6-12(7-5-11)13-8-14-10-15-9-13/h4-10H,2-3H2,1H3.
What are the key properties of 5-(4-propylphenyl)pyrimidine?
5-(4-propylphenyl)pyrimidine has a molecular weight of 198.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylphenyl)pyrimidine is sourced from PubChem (CID 89220429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).