2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine

C10H14N2 — CID 144745986

IUPAC2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine
SMILESC=C/C(=C\C)C1=CNC(C)N=C1
InChIInChI=1S/C10H14N2/c1-4-9(5-2)10-6-11-8(3)12-7-10/h4-8,11H,1H2,2-3H3/b9-5+
InChIKeyMRDRCPWXUHJBEZ-WEVVVXLNSA-N
MW162.24 g/mol
LogP2.02
Rot. Bonds2

About 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine

2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine (PubChem CID 144745986) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine
PubChem CID144745986
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine
SMILESC=C/C(=C\C)C1=CNC(C)N=C1
InChIInChI=1S/C10H14N2/c1-4-9(5-2)10-6-11-8(3)12-7-10/h4-8,11H,1H2,2-3H3/b9-5+
InChIKeyMRDRCPWXUHJBEZ-WEVVVXLNSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine 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 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
The IUPAC name of 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine (CID 144745986) is 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine.
What is the SMILES notation for 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
The canonical SMILES for 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine is C=C/C(=C\C)C1=CNC(C)N=C1.
What is the InChIKey of 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
The InChIKey is MRDRCPWXUHJBEZ-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9(5-2)10-6-11-8(3)12-7-10/h4-8,11H,1H2,2-3H3/b9-5+.
What are the key properties of 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine?
2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine has a molecular weight of 162.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3E)-penta-1,3-dien-3-yl]-1,2-dihydropyrimidine is sourced from PubChem (CID 144745986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).