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

C8H12N4O2S — CID 135468911

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2S/c1-12(2)7(14)4-15-8-10-5(9)3-6(13)11-8/h3H,4H2,1-2H3,(H3,9,10,11,13)
InChIKeyWZVUIKDWCPCMPC-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.47
Rot. Bonds3

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide (PubChem CID 135468911) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide
PubChem CID135468911
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O2S/c1-12(2)7(14)4-15-8-10-5(9)3-6(13)11-8/h3H,4H2,1-2H3,(H3,9,10,11,13)
InChIKeyWZVUIKDWCPCMPC-UHFFFAOYSA-N
XLogP-0.47
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide (CID 135468911) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide is CN(C)C(=O)CSc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide?
The InChIKey is WZVUIKDWCPCMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-12(2)7(14)4-15-8-10-5(9)3-6(13)11-8/h3H,4H2,1-2H3,(H3,9,10,11,13).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N,N-dimethylacetamide has a molecular weight of 228.28 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 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,N-dimethylacetamide is sourced from PubChem (CID 135468911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).