4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide

C7H10N4O2S — CID 20850092

IUPAC4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCSc1nc(N)c(C(N)=O)c(=O)n1C
InChIInChI=1S/C7H10N4O2S/c1-11-6(13)3(5(9)12)4(8)10-7(11)14-2/h8H2,1-2H3,(H2,9,12)
InChIKeyCHPBKRSTLIZMKG-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.82
Rot. Bonds2

About 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide

4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide (PubChem CID 20850092) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
PubChem CID20850092
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide
SMILESCSc1nc(N)c(C(N)=O)c(=O)n1C
InChIInChI=1S/C7H10N4O2S/c1-11-6(13)3(5(9)12)4(8)10-7(11)14-2/h8H2,1-2H3,(H2,9,12)
InChIKeyCHPBKRSTLIZMKG-UHFFFAOYSA-N
XLogP-0.82
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide (CID 20850092) is 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide is CSc1nc(N)c(C(N)=O)c(=O)n1C.
What is the InChIKey of 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is CHPBKRSTLIZMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c1-11-6(13)3(5(9)12)4(8)10-7(11)14-2/h8H2,1-2H3,(H2,9,12).
What are the key properties of 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide?
4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 214.25 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 20850092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).