5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one

C15H18N2OS — CID 83955036

IUPAC5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCCc1[nH]c(=S)[nH]c(=O)c1Cc1ccc(C)cc1
InChIInChI=1S/C15H18N2OS/c1-3-4-13-12(14(18)17-15(19)16-13)9-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyCWUDTHSYWYUBAQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.28
Rot. Bonds4

About 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one

5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one (PubChem CID 83955036) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
PubChem CID83955036
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
SMILESCCCc1[nH]c(=S)[nH]c(=O)c1Cc1ccc(C)cc1
InChIInChI=1S/C15H18N2OS/c1-3-4-13-12(14(18)17-15(19)16-13)9-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyCWUDTHSYWYUBAQ-UHFFFAOYSA-N
XLogP3.28
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one 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-hydroxyphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83950685
6-propyl-5-(pyridin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 83956002
6-propyl-5-[(4-pyrrolidin-1-ylphenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 83953335
2-[4-[(4-oxo-6-propyl-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzonitrile
CID 10473761
5-[(2-hydroxyphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83950328
5-[(4-ethylphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 46706312
6-ethyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 83953435
5-[(2-chloro-6-fluorophenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83952905
5-[(4-butoxyphenyl)methyl]-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 83951954
6-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 12659494
6-methyl-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 83953480
6-ethyl-5-[(4-hydroxy-3-nitrophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 112720693

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one (CID 83955036) is 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one is CCCc1[nH]c(=S)[nH]c(=O)c1Cc1ccc(C)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
The InChIKey is CWUDTHSYWYUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-4-13-12(14(18)17-15(19)16-13)9-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one?
5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one has a molecular weight of 274.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-6-propyl-2-sulfanylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 83955036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).