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

C18H16N4O2S2 — CID 135519923

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccccc2)n1
InChIInChI=1S/C18H16N4O2S2/c19-15-10-16(23)22-18(21-15)25-11-17(24)20-13-8-4-5-9-14(13)26-12-6-2-1-3-7-12/h1-10H,11H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKVJUKVBHQLPBOR-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.23
Rot. Bonds6

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

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 135519923) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID135519923
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccccc2)n1
InChIInChI=1S/C18H16N4O2S2/c19-15-10-16(23)22-18(21-15)25-11-17(24)20-13-8-4-5-9-14(13)26-12-6-2-1-3-7-12/h1-10H,11H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKVJUKVBHQLPBOR-UHFFFAOYSA-N
XLogP3.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide (CID 135519923) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccccc2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is KVJUKVBHQLPBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c19-15-10-16(23)22-18(21-15)25-11-17(24)20-13-8-4-5-9-14(13)26-12-6-2-1-3-7-12/h1-10H,11H2,(H,20,24)(H3,19,21,22,23).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 384.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 135519923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).