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

C11H12N4O2S — CID 72908054

IUPAC4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(CN(C)c2ncncc2C(=O)O)cs1
InChIInChI=1S/C11H12N4O2S/c1-7-14-8(5-18-7)4-15(2)10-9(11(16)17)3-12-6-13-10/h3,5-6H,4H2,1-2H3,(H,16,17)
InChIKeySTYCKDJWGCGKMH-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.58
Rot. Bonds4

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

4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid (PubChem CID 72908054) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
PubChem CID72908054
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid
SMILESCc1nc(CN(C)c2ncncc2C(=O)O)cs1
InChIInChI=1S/C11H12N4O2S/c1-7-14-8(5-18-7)4-15(2)10-9(11(16)17)3-12-6-13-10/h3,5-6H,4H2,1-2H3,(H,16,17)
InChIKeySTYCKDJWGCGKMH-UHFFFAOYSA-N
XLogP1.58
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid (CID 72908054) is 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid is Cc1nc(CN(C)c2ncncc2C(=O)O)cs1.
What is the InChIKey of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is STYCKDJWGCGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-7-14-8(5-18-7)4-15(2)10-9(11(16)17)3-12-6-13-10/h3,5-6H,4H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid?
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 72908054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).