2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

C14H17N3O2S2 — CID 43514138

IUPAC2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
SMILESCCCc1nc(CSc2nc(C)nc(C)c2C(=O)O)cs1
InChIInChI=1S/C14H17N3O2S2/c1-4-5-11-17-10(6-20-11)7-21-13-12(14(18)19)8(2)15-9(3)16-13/h6H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyIIYIFRSWFPCVEM-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.49
Rot. Bonds6

About 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid

2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid (PubChem CID 43514138) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
PubChem CID43514138
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid
SMILESCCCc1nc(CSc2nc(C)nc(C)c2C(=O)O)cs1
InChIInChI=1S/C14H17N3O2S2/c1-4-5-11-17-10(6-20-11)7-21-13-12(14(18)19)8(2)15-9(3)16-13/h6H,4-5,7H2,1-3H3,(H,18,19)
InChIKeyIIYIFRSWFPCVEM-UHFFFAOYSA-N
XLogP3.49
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid (CID 43514138) is 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid is CCCc1nc(CSc2nc(C)nc(C)c2C(=O)O)cs1.
What is the InChIKey of 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
The InChIKey is IIYIFRSWFPCVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-4-5-11-17-10(6-20-11)7-21-13-12(14(18)19)8(2)15-9(3)16-13/h6H,4-5,7H2,1-3H3,(H,18,19).
What are the key properties of 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid?
2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid has a molecular weight of 323.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 43514138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).