2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid

C11H14N2O2S — CID 16775308

IUPAC2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid
SMILESCCSc1nc(C2CC2)nc(C)c1C(=O)O
InChIInChI=1S/C11H14N2O2S/c1-3-16-10-8(11(14)15)6(2)12-9(13-10)7-4-5-7/h7H,3-5H2,1-2H3,(H,14,15)
InChIKeyRUAYLZGDXGBGMN-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.47
Rot. Bonds4

About 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid

2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid (PubChem CID 16775308) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid
PubChem CID16775308
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid
SMILESCCSc1nc(C2CC2)nc(C)c1C(=O)O
InChIInChI=1S/C11H14N2O2S/c1-3-16-10-8(11(14)15)6(2)12-9(13-10)7-4-5-7/h7H,3-5H2,1-2H3,(H,14,15)
InChIKeyRUAYLZGDXGBGMN-UHFFFAOYSA-N
XLogP2.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid (CID 16775308) is 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid is CCSc1nc(C2CC2)nc(C)c1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is RUAYLZGDXGBGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-3-16-10-8(11(14)15)6(2)12-9(13-10)7-4-5-7/h7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid?
2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 238.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethylsulfanyl-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 16775308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).