2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

C13H20N4O3S — CID 135534264

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NC(C)C)n1
InChIInChI=1S/C13H20N4O3S/c1-4-5-9-6-10(18)17-13(15-9)21-7-11(19)16-12(20)14-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,15,17,18)(H2,14,16,19,20)
InChIKeyPKJYVYJYAKYDOR-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.05
Rot. Bonds6

About 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 135534264) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID135534264
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NC(C)C)n1
InChIInChI=1S/C13H20N4O3S/c1-4-5-9-6-10(18)17-13(15-9)21-7-11(19)16-12(20)14-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,15,17,18)(H2,14,16,19,20)
InChIKeyPKJYVYJYAKYDOR-UHFFFAOYSA-N
XLogP1.05
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 135423612
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 135488243
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 135767375
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135574661
N-[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]benzamide
CID 135413606
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135720158
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[6-[[2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-2-pyridinyl]acetamide
CID 135795858
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylbutyl]acetamide
CID 135680378
N-(4-butan-2-ylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135464918
N-(3,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408430
N-(4-methylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135408881
methyl 2-[6-oxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1H-pyrimidin-4-yl]acetate
CID 135596808

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (CID 135534264) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)NC(=O)NC(C)C)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is PKJYVYJYAKYDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-4-5-9-6-10(18)17-13(15-9)21-7-11(19)16-12(20)14-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,15,17,18)(H2,14,16,19,20).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 135534264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).