2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid

C11H12N4O2S — CID 114214454

IUPAC2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NC(C)c2nccs2)n1
InChIInChI=1S/C11H12N4O2S/c1-6(10-12-3-4-18-10)14-9-8(11(16)17)5-13-7(2)15-9/h3-6H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyBDBIQEREOVJTJG-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.11
Rot. Bonds4

About 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid

2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid (PubChem CID 114214454) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
PubChem CID114214454
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
SMILESCc1ncc(C(=O)O)c(NC(C)c2nccs2)n1
InChIInChI=1S/C11H12N4O2S/c1-6(10-12-3-4-18-10)14-9-8(11(16)17)5-13-7(2)15-9/h3-6H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyBDBIQEREOVJTJG-UHFFFAOYSA-N
XLogP2.11
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid (CID 114214454) is 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid is Cc1ncc(C(=O)O)c(NC(C)c2nccs2)n1.
What is the InChIKey of 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
The InChIKey is BDBIQEREOVJTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-6(10-12-3-4-18-10)14-9-8(11(16)17)5-13-7(2)15-9/h3-6H,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid?
2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 114214454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).