5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide

C6H8N4O2S — CID 135427552

IUPAC5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCSc1nc(C(N)=O)c(N)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2S/c1-13-6-9-3(4(8)11)2(7)5(12)10-6/h7H2,1H3,(H2,8,11)(H,9,10,12)
InChIKeyRFKYKPKINCBVAB-UHFFFAOYSA-N
MW200.22 g/mol
LogP-0.83
Rot. Bonds2

About 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide

5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135427552) has the molecular formula C6H8N4O2S and a molecular weight of 200.22 g/mol. Its IUPAC name is 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135427552
Molecular FormulaC6H8N4O2S
Molecular Weight200.22 g/mol
Exact Mass200.04
IUPAC Name5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCSc1nc(C(N)=O)c(N)c(=O)[nH]1
InChIInChI=1S/C6H8N4O2S/c1-13-6-9-3(4(8)11)2(7)5(12)10-6/h7H2,1H3,(H2,8,11)(H,9,10,12)
InChIKeyRFKYKPKINCBVAB-UHFFFAOYSA-N
XLogP-0.83
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 135427552) is 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide is CSc1nc(C(N)=O)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is RFKYKPKINCBVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2S/c1-13-6-9-3(4(8)11)2(7)5(12)10-6/h7H2,1H3,(H2,8,11)(H,9,10,12).
What are the key properties of 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide?
5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 200.22 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylsulfanyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135427552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).