1-propyl-2H-pyrimidine

C7H12N2 — CID 57218464

IUPAC1-propyl-2H-pyrimidine
SMILESCCCN1C=CC=NC1
InChIInChI=1S/C7H12N2/c1-2-5-9-6-3-4-8-7-9/h3-4,6H,2,5,7H2,1H3
InChIKeyGINKZLXFRGZIGU-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds2

About 1-propyl-2H-pyrimidine

1-propyl-2H-pyrimidine (PubChem CID 57218464) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-propyl-2H-pyrimidine.

Molecular Properties

Compound Name1-propyl-2H-pyrimidine
PubChem CID57218464
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-propyl-2H-pyrimidine
SMILESCCCN1C=CC=NC1
InChIInChI=1S/C7H12N2/c1-2-5-9-6-3-4-8-7-9/h3-4,6H,2,5,7H2,1H3
InChIKeyGINKZLXFRGZIGU-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propyl-2H-pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2H-pyrimidine?
The IUPAC name of 1-propyl-2H-pyrimidine (CID 57218464) is 1-propyl-2H-pyrimidine.
What is the SMILES notation for 1-propyl-2H-pyrimidine?
The canonical SMILES for 1-propyl-2H-pyrimidine is CCCN1C=CC=NC1.
What is the InChIKey of 1-propyl-2H-pyrimidine?
The InChIKey is GINKZLXFRGZIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-5-9-6-3-4-8-7-9/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 1-propyl-2H-pyrimidine?
1-propyl-2H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2H-pyrimidine is sourced from PubChem (CID 57218464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).