N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C7H10N4O2S — CID 137181795

IUPACN-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCSc1nc(N)c(NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C7H10N4O2S/c1-3(12)9-4-5(8)10-7(14-2)11-6(4)13/h1-2H3,(H,9,12)(H3,8,10,11,13)
InChIKeyFXWOHXFJOCUZMZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.03
Rot. Bonds2

About N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 137181795) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID137181795
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC NameN-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCSc1nc(N)c(NC(C)=O)c(=O)[nH]1
InChIInChI=1S/C7H10N4O2S/c1-3(12)9-4-5(8)10-7(14-2)11-6(4)13/h1-2H3,(H,9,12)(H3,8,10,11,13)
InChIKeyFXWOHXFJOCUZMZ-UHFFFAOYSA-N
XLogP0.03
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 137181795) is N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CSc1nc(N)c(NC(C)=O)c(=O)[nH]1.
What is the InChIKey of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is FXWOHXFJOCUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-3(12)9-4-5(8)10-7(14-2)11-6(4)13/h1-2H3,(H,9,12)(H3,8,10,11,13).
What are the key properties of N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 214.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 137181795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).