2-(propan-2-ylamino)pyrimidine-4-carboxylic acid

C8H11N3O2 — CID 107553189

IUPAC2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C8H11N3O2/c1-5(2)10-8-9-4-3-6(11-8)7(12)13/h3-5H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyBZFZPWZOPZERBM-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.00
Rot. Bonds3

About 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid

2-(propan-2-ylamino)pyrimidine-4-carboxylic acid (PubChem CID 107553189) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
PubChem CID107553189
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
SMILESCC(C)Nc1nccc(C(=O)O)n1
InChIInChI=1S/C8H11N3O2/c1-5(2)10-8-9-4-3-6(11-8)7(12)13/h3-5H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyBZFZPWZOPZERBM-UHFFFAOYSA-N
XLogP1.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295192
2-[(1-methylcyclopentyl)amino]pyrimidine-4-carboxylic acid
CID 107553435
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrimidine-4-carboxylic acid
CID 107553462
2-(2,2-dimethylhydrazinyl)pyrimidine-4-carboxylic acid
CID 107554298
2-[(1-methylcyclopropyl)amino]pyrimidine-4-carboxylic acid
CID 107554402
ethyl 4-[2-(propan-2-ylamino)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109295181
N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295146
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyrimidine-4-carboxylic acid
CID 107854803
2-(cyclopentylamino)pyrimidine-4-carboxylic acid
CID 91076843
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid (CID 107553189) is 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid is CC(C)Nc1nccc(C(=O)O)n1.
What is the InChIKey of 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
The InChIKey is BZFZPWZOPZERBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5(2)10-8-9-4-3-6(11-8)7(12)13/h3-5H,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid?
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).