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

C15H25N3O2S — CID 135481230

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C(C)C)C(C)C)n1
InChIInChI=1S/C15H25N3O2S/c1-6-7-12-8-13(19)17-15(16-12)21-9-14(20)18(10(2)3)11(4)5/h8,10-11H,6-7,9H2,1-5H3,(H,16,17,19)
InChIKeyAUXJEKBOSLOKAC-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.46
Rot. Bonds7

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

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 135481230) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID135481230
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)N(C(C)C)C(C)C)n1
InChIInChI=1S/C15H25N3O2S/c1-6-7-12-8-13(19)17-15(16-12)21-9-14(20)18(10(2)3)11(4)5/h8,10-11H,6-7,9H2,1-5H3,(H,16,17,19)
InChIKeyAUXJEKBOSLOKAC-UHFFFAOYSA-N
XLogP2.46
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 135481230) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is CCCc1cc(=O)[nH]c(SCC(=O)N(C(C)C)C(C)C)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is AUXJEKBOSLOKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-6-7-12-8-13(19)17-15(16-12)21-9-14(20)18(10(2)3)11(4)5/h8,10-11H,6-7,9H2,1-5H3,(H,16,17,19).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 135481230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).