5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

C14H16N4O2S — CID 62086335

IUPAC5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(Nc2nc(C3CC3)cs2)c(C(=O)O)n1
InChIInChI=1S/C14H16N4O2S/c1-7(2)12-15-5-9(11(18-12)13(19)20)16-14-17-10(6-21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyJCHSPXINGYXUNB-UHFFFAOYSA-N
MW304.38 g/mol
LogP3.38
Rot. Bonds5

About 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid

5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62086335) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62086335
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(Nc2nc(C3CC3)cs2)c(C(=O)O)n1
InChIInChI=1S/C14H16N4O2S/c1-7(2)12-15-5-9(11(18-12)13(19)20)16-14-17-10(6-21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyJCHSPXINGYXUNB-UHFFFAOYSA-N
XLogP3.38
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015173
5-[(2,2-dimethylcyclopropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087944
5-[(3-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 114546945
5-[(3-methylcyclopentyl)methylamino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 107413670
5-(2-cyclobutylethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 113478927
5-(butan-2-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62086111
5-(2-hydroxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62487298
5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63539307
5-[(2-methyl-3-pyridinyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 79044079
5-chloro-6-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]pyridine-3-carboxylic acid
CID 61481003
2-propan-2-yl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-4-carboxylic acid
CID 63825023
5-(2-methylpentan-3-ylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63537840

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62086335) is 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(Nc2nc(C3CC3)cs2)c(C(=O)O)n1.
What is the InChIKey of 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is JCHSPXINGYXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-7(2)12-15-5-9(11(18-12)13(19)20)16-14-17-10(6-21-14)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 304.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62086335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).