2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid

C10H14N2O2S — CID 16777650

IUPAC2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid
SMILESCCCSc1nc(C)nc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-4-5-15-9-8(10(13)14)6(2)11-7(3)12-9/h4-5H2,1-3H3,(H,13,14)
InChIKeyDEKICFYNVRCHHB-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.29
Rot. Bonds4

About 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid

2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid (PubChem CID 16777650) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid
PubChem CID16777650
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid
SMILESCCCSc1nc(C)nc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-4-5-15-9-8(10(13)14)6(2)11-7(3)12-9/h4-5H2,1-3H3,(H,13,14)
InChIKeyDEKICFYNVRCHHB-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid (CID 16777650) is 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid is CCCSc1nc(C)nc(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
The InChIKey is DEKICFYNVRCHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-4-5-15-9-8(10(13)14)6(2)11-7(3)12-9/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid?
2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propylsulfanylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 16777650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).