4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine

C15H18N2 — CID 11736290

IUPAC4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine
SMILESCC#Cc1cc(CCCCC)nc(C#CC)n1
InChIInChI=1S/C15H18N2/c1-4-7-8-11-14-12-13(9-5-2)16-15(17-14)10-6-3/h12H,4,7-8,11H2,1-3H3
InChIKeyHRHNDZCKLHDJLQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.95
Rot. Bonds4

About 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine

4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine (PubChem CID 11736290) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine.

Molecular Properties

Compound Name4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine
PubChem CID11736290
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine
SMILESCC#Cc1cc(CCCCC)nc(C#CC)n1
InChIInChI=1S/C15H18N2/c1-4-7-8-11-14-12-13(9-5-2)16-15(17-14)10-6-3/h12H,4,7-8,11H2,1-3H3
InChIKeyHRHNDZCKLHDJLQ-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-pentyl-2,6-bis(prop-1-ynyl)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

4-Cyclopropyl-6-methyl-2-pyrimidinamine
CID 13672658
4-Cycloheptyl-6-propylpyrimidine-2-carbonitrile
CID 11694425
4-Cyclohexyl-6-propylpyrimidine-2-carbonitrile
CID 11622731
4-Cyclooctyl-6-propylpyrimidine-2-carbonitrile
CID 46881498
2-Chloro-4-ethyl-6-methylpyrimidine
CID 593377
2,4,6-Tris(1,1-dimethylethyl)pyrimidine
CID 3440137
N,N-diethyl-4,6-dimethylpyrimidin-2-amine
CID 4181181
4-Ethyl-6-methylpyrimidin-2-amine
CID 819560
2-Ethynyl-4,6-dimethylpyrimidine
CID 13081754
6-Butyl-2,4-dipropylaminopyrimidine
CID 11276767
4,6-Dimethylpyrimidine-2-carbonitrile
CID 870742
N,N-didecyl-4-[2-(dimethylamino)ethyl]-6-methylpyrimidin-2-amine
CID 137641968

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine?
The IUPAC name of 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine (CID 11736290) is 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine.
What is the SMILES notation for 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine?
The canonical SMILES for 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine is CC#Cc1cc(CCCCC)nc(C#CC)n1.
What is the InChIKey of 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine?
The InChIKey is HRHNDZCKLHDJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-7-8-11-14-12-13(9-5-2)16-15(17-14)10-6-3/h12H,4,7-8,11H2,1-3H3.
What are the key properties of 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine?
4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine has a molecular weight of 226.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-2,6-bis(prop-1-ynyl)pyrimidine is sourced from PubChem (CID 11736290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).