2-methylsulfanylpyrimidine-4-carboxamide

C6H7N3OS — CID 57428540

IUPAC2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1nccc(C(N)=O)n1
InChIInChI=1S/C6H7N3OS/c1-11-6-8-3-2-4(9-6)5(7)10/h2-3H,1H3,(H2,7,10)
InChIKeyRALNSRYFFXJNMN-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.30
Rot. Bonds2

About 2-methylsulfanylpyrimidine-4-carboxamide

2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 57428540) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID57428540
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1nccc(C(N)=O)n1
InChIInChI=1S/C6H7N3OS/c1-11-6-8-3-2-4(9-6)5(7)10/h2-3H,1H3,(H2,7,10)
InChIKeyRALNSRYFFXJNMN-UHFFFAOYSA-N
XLogP0.30
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 2-methylsulfanylpyrimidine-4-carboxamide (CID 57428540) is 2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methylsulfanylpyrimidine-4-carboxamide is CSc1nccc(C(N)=O)n1.
What is the InChIKey of 2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is RALNSRYFFXJNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c1-11-6-8-3-2-4(9-6)5(7)10/h2-3H,1H3,(H2,7,10).
What are the key properties of 2-methylsulfanylpyrimidine-4-carboxamide?
2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 169.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 57428540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).