2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide

C7H9N3O3S2 — CID 133057498

IUPAC2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(S(C)(=O)=O)n1
InChIInChI=1S/C7H9N3O3S2/c1-14-7-9-3-4(5(8)11)6(10-7)15(2,12)13/h3H,1-2H3,(H2,8,11)
InChIKeyGDGRJSLKIGDHMN-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.30
Rot. Bonds3

About 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide

2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide (PubChem CID 133057498) has the molecular formula C7H9N3O3S2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide
PubChem CID133057498
Molecular FormulaC7H9N3O3S2
Molecular Weight247.30 g/mol
Exact Mass247.01
IUPAC Name2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(S(C)(=O)=O)n1
InChIInChI=1S/C7H9N3O3S2/c1-14-7-9-3-4(5(8)11)6(10-7)15(2,12)13/h3H,1-2H3,(H2,8,11)
InChIKeyGDGRJSLKIGDHMN-UHFFFAOYSA-N
XLogP-0.30
TPSA103.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carbonitrile
CID 133059496
4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 86065477
2-[(4-methoxycyclohexyl)amino]-4-methylsulfonylpyrimidine-5-carboxamide
CID 70982679
ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfonylpyrimidine-5-carboxylate
CID 157385640
4-methoxy-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 12829003
methyl 2,4-bis(methylsulfanyl)pyrimidine-5-carboxylate
CID 130206256
4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 71237996
lithium;4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;ethyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate;hydroperoxyethane;hydroxide
CID 161067921
4-amino-2-methylsulfanylpyrimidine-5-carboxylic acid;N-methoxymethanamine
CID 172808365
4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 59199867
prop-2-enyl 4-amino-2-methylsulfanylpyrimidine-5-carboxylate
CID 142786186
2-methylsulfanyl-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 12784085

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide?
The IUPAC name of 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide (CID 133057498) is 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide?
The canonical SMILES for 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide is CSc1ncc(C(N)=O)c(S(C)(=O)=O)n1.
What is the InChIKey of 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide?
The InChIKey is GDGRJSLKIGDHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3S2/c1-14-7-9-3-4(5(8)11)6(10-7)15(2,12)13/h3H,1-2H3,(H2,8,11).
What are the key properties of 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide?
2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-methylsulfonylpyrimidine-5-carboxamide is sourced from PubChem (CID 133057498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).