2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide

C11H18N4O2S — CID 135428247

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2S/c1-3-4-7(2)13-10(17)6-18-11-14-8(12)5-9(16)15-11/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeySWPFOYCKTBGATB-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.75
Rot. Bonds6

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide (PubChem CID 135428247) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide
PubChem CID135428247
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O2S/c1-3-4-7(2)13-10(17)6-18-11-14-8(12)5-9(16)15-11/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeySWPFOYCKTBGATB-UHFFFAOYSA-N
XLogP0.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide (CID 135428247) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
The InChIKey is SWPFOYCKTBGATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-3-4-7(2)13-10(17)6-18-11-14-8(12)5-9(16)15-11/h5,7H,3-4,6H2,1-2H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide has a molecular weight of 270.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 135428247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).