N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide

C6H7N3O2S — CID 135968262

IUPACN-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide
SMILESCSc1nc(NC=O)cc(=O)[nH]1
InChIInChI=1S/C6H7N3O2S/c1-12-6-8-4(7-3-10)2-5(11)9-6/h2-3H,1H3,(H2,7,8,9,10,11)
InChIKeyABSDMRHMAQWJAO-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.06
Rot. Bonds3

About N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide

N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide (PubChem CID 135968262) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide
PubChem CID135968262
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC NameN-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide
SMILESCSc1nc(NC=O)cc(=O)[nH]1
InChIInChI=1S/C6H7N3O2S/c1-12-6-8-4(7-3-10)2-5(11)9-6/h2-3H,1H3,(H2,7,8,9,10,11)
InChIKeyABSDMRHMAQWJAO-UHFFFAOYSA-N
XLogP0.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide?
The IUPAC name of N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide (CID 135968262) is N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide.
What is the SMILES notation for N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide?
The canonical SMILES for N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide is CSc1nc(NC=O)cc(=O)[nH]1.
What is the InChIKey of N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide?
The InChIKey is ABSDMRHMAQWJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c1-12-6-8-4(7-3-10)2-5(11)9-6/h2-3H,1H3,(H2,7,8,9,10,11).
What are the key properties of N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide?
N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide has a molecular weight of 185.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)formamide is sourced from PubChem (CID 135968262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).