4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide

C9H12N4OS — CID 50743342

IUPAC4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CC2)c(N)n1
InChIInChI=1S/C9H12N4OS/c1-15-9-11-4-6(7(10)13-9)8(14)12-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H2,10,11,13)
InChIKeyGXAWQUOUTOKUJZ-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.67
Rot. Bonds3

About 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide

4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 50743342) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID50743342
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NC2CC2)c(N)n1
InChIInChI=1S/C9H12N4OS/c1-15-9-11-4-6(7(10)13-9)8(14)12-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H2,10,11,13)
InChIKeyGXAWQUOUTOKUJZ-UHFFFAOYSA-N
XLogP0.67
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide (CID 50743342) is 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NC2CC2)c(N)n1.
What is the InChIKey of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is GXAWQUOUTOKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-15-9-11-4-6(7(10)13-9)8(14)12-5-2-3-5/h4-5H,2-3H2,1H3,(H,12,14)(H2,10,11,13).
What are the key properties of 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide?
4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 224.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 50743342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).