2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid

C12H16N2O2S — CID 16775612

IUPAC2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
SMILESCCCSc1nc(C2CC2)nc(C)c1C(=O)O
InChIInChI=1S/C12H16N2O2S/c1-3-6-17-11-9(12(15)16)7(2)13-10(14-11)8-4-5-8/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFKEMAFUFCGIBLF-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.86
Rot. Bonds5

About 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid

2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid (PubChem CID 16775612) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
PubChem CID16775612
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
SMILESCCCSc1nc(C2CC2)nc(C)c1C(=O)O
InChIInChI=1S/C12H16N2O2S/c1-3-6-17-11-9(12(15)16)7(2)13-10(14-11)8-4-5-8/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFKEMAFUFCGIBLF-UHFFFAOYSA-N
XLogP2.86
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid (CID 16775612) is 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid is CCCSc1nc(C2CC2)nc(C)c1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The InChIKey is FKEMAFUFCGIBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-6-17-11-9(12(15)16)7(2)13-10(14-11)8-4-5-8/h8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid has a molecular weight of 252.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 16775612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).