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

C14H20N2O2S — CID 16773485

IUPAC2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
SMILESCCCSc1nc(C2CCCC2)nc(C)c1C(=O)O
InChIInChI=1S/C14H20N2O2S/c1-3-8-19-13-11(14(17)18)9(2)15-12(16-13)10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,17,18)
InChIKeyXQBGOXHAXARRFF-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.64
Rot. Bonds5

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

2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid (PubChem CID 16773485) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
PubChem CID16773485
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid
SMILESCCCSc1nc(C2CCCC2)nc(C)c1C(=O)O
InChIInChI=1S/C14H20N2O2S/c1-3-8-19-13-11(14(17)18)9(2)15-12(16-13)10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,17,18)
InChIKeyXQBGOXHAXARRFF-UHFFFAOYSA-N
XLogP3.64
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 16227714
CID 16227714
CID 17492645
CID 17492645
CID 43419884
CID 43419884
CID 43513919
CID 43513919
CID 43513963
CID 43513963
CID 43514175
CID 43514175
CID 43514266
CID 43514266
CID 43514318
CID 43514318
CID 43514386
CID 43514386
CID 43514420
CID 43514420
CID 43625009
CID 43625009
CID 43625010
CID 43625010

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid (CID 16773485) is 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid is CCCSc1nc(C2CCCC2)nc(C)c1C(=O)O.
What is the InChIKey of 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The InChIKey is XQBGOXHAXARRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-3-8-19-13-11(14(17)18)9(2)15-12(16-13)10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid has a molecular weight of 280.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-6-propylsulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 16773485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).