2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide

C12H10Cl2N4O2S — CID 135401621

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N4O2S/c13-6-1-7(14)3-8(2-6)16-11(20)5-21-12-17-9(15)4-10(19)18-12/h1-4H,5H2,(H,16,20)(H3,15,17,18,19)
InChIKeyHSQYEAYEKMZYQP-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.39
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 135401621) has the molecular formula C12H10Cl2N4O2S and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
PubChem CID135401621
Molecular FormulaC12H10Cl2N4O2S
Molecular Weight345.21 g/mol
Exact Mass343.99
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H10Cl2N4O2S/c13-6-1-7(14)3-8(2-6)16-11(20)5-21-12-17-9(15)4-10(19)18-12/h1-4H,5H2,(H,16,20)(H3,15,17,18,19)
InChIKeyHSQYEAYEKMZYQP-UHFFFAOYSA-N
XLogP2.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.39
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-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide (CID 135401621) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is HSQYEAYEKMZYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2S/c13-6-1-7(14)3-8(2-6)16-11(20)5-21-12-17-9(15)4-10(19)18-12/h1-4H,5H2,(H,16,20)(H3,15,17,18,19).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 345.21 g/mol, XLogP of 2.39, 4 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-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 135401621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).