3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one

C9H14N2O — CID 123333186

IUPAC3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one
SMILESC/C=C\C1=NC(=O)N(C)CC1C
InChIInChI=1S/C9H14N2O/c1-4-5-8-7(2)6-11(3)9(12)10-8/h4-5,7H,6H2,1-3H3/b5-4-
InChIKeyYVWRUIBFJRZMPJ-PLNGDYQASA-N
MW166.22 g/mol
LogP1.71
Rot. Bonds1

About 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one

3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one (PubChem CID 123333186) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one
PubChem CID123333186
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one
SMILESC/C=C\C1=NC(=O)N(C)CC1C
InChIInChI=1S/C9H14N2O/c1-4-5-8-7(2)6-11(3)9(12)10-8/h4-5,7H,6H2,1-3H3/b5-4-
InChIKeyYVWRUIBFJRZMPJ-PLNGDYQASA-N
XLogP1.71
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one 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 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one?
The IUPAC name of 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one (CID 123333186) is 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one.
What is the SMILES notation for 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one?
The canonical SMILES for 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one is C/C=C\C1=NC(=O)N(C)CC1C.
What is the InChIKey of 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one?
The InChIKey is YVWRUIBFJRZMPJ-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-7(2)6-11(3)9(12)10-8/h4-5,7H,6H2,1-3H3/b5-4-.
What are the key properties of 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one?
3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-6-[(Z)-prop-1-enyl]-4,5-dihydropyrimidin-2-one is sourced from PubChem (CID 123333186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).