2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide

C11H10ClN5O2S — CID 135401612

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cccnc2Cl)n1
InChIInChI=1S/C11H10ClN5O2S/c12-10-6(2-1-3-14-10)15-9(19)5-20-11-16-7(13)4-8(18)17-11/h1-4H,5H2,(H,15,19)(H3,13,16,17,18)
InChIKeySUWLOZRJLLKLSD-UHFFFAOYSA-N
MW311.75 g/mol
LogP1.13
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 135401612) has the molecular formula C11H10ClN5O2S and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID135401612
Molecular FormulaC11H10ClN5O2S
Molecular Weight311.75 g/mol
Exact Mass311.02
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2cccnc2Cl)n1
InChIInChI=1S/C11H10ClN5O2S/c12-10-6(2-1-3-14-10)15-9(19)5-20-11-16-7(13)4-8(18)17-11/h1-4H,5H2,(H,15,19)(H3,13,16,17,18)
InChIKeySUWLOZRJLLKLSD-UHFFFAOYSA-N
XLogP1.13
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide (CID 135401612) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2cccnc2Cl)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is SUWLOZRJLLKLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2S/c12-10-6(2-1-3-14-10)15-9(19)5-20-11-16-7(13)4-8(18)17-11/h1-4H,5H2,(H,15,19)(H3,13,16,17,18).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 311.75 g/mol, XLogP of 1.13, 4 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-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 135401612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).