2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H18N4O4S — CID 135535514

IUPAC2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)no1
InChIInChI=1S/C14H18N4O4S/c1-8(2)6-18-13(21)5-11(19)16-14(18)23-7-12(20)15-10-4-9(3)22-17-10/h4-5,8,19H,6-7H2,1-3H3,(H,15,17,20)
InChIKeyUADCGDRHCKYVEC-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.63
Rot. Bonds6

About 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 135535514) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID135535514
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)no1
InChIInChI=1S/C14H18N4O4S/c1-8(2)6-18-13(21)5-11(19)16-14(18)23-7-12(20)15-10-4-9(3)22-17-10/h4-5,8,19H,6-7H2,1-3H3,(H,15,17,20)
InChIKeyUADCGDRHCKYVEC-UHFFFAOYSA-N
XLogP1.63
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide 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

2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135528096
N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135893035
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7558961
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-hydroxy-3-(2-methylpropyl)pyrimidin-4-one
CID 135549166
2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 650308
2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2085698
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 135399186
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 969776
N,N-dicyclohexyl-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135891108
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 53489619
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799430
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]ethyl]sulfanylacetamide
CID 36612644

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 135535514) is 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(O)cc(=O)n2CC(C)C)no1.
What is the InChIKey of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UADCGDRHCKYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-8(2)6-18-13(21)5-11(19)16-14(18)23-7-12(20)15-10-4-9(3)22-17-10/h4-5,8,19H,6-7H2,1-3H3,(H,15,17,20).
What are the key properties of 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 338.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 135535514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).