6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid

C13H14N4O2 — CID 82169893

IUPAC6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)nc(-c2ccccn2)n1
InChIInChI=1S/C13H14N4O2/c1-8(2)15-11-7-10(13(18)19)16-12(17-11)9-5-3-4-6-14-9/h3-8H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyCZUIIROHHNGDRC-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.06
Rot. Bonds4

About 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid

6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid (PubChem CID 82169893) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
PubChem CID82169893
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)Nc1cc(C(=O)O)nc(-c2ccccn2)n1
InChIInChI=1S/C13H14N4O2/c1-8(2)15-11-7-10(13(18)19)16-12(17-11)9-5-3-4-6-14-9/h3-8H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyCZUIIROHHNGDRC-UHFFFAOYSA-N
XLogP2.06
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-carboxy-2-pyridinyl)-6-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 118281877
2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-N-phenylpropanamide
CID 133311048
2-phenyl-6-(propan-2-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112851568
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
3-[(6-tert-butyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 67513119
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
2-[(2-methoxyphenyl)methyl]-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169905
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468
6-(butan-2-ylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82170035
2-(ethylsulfanylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169908

Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid (CID 82169893) is 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid is CC(C)Nc1cc(C(=O)O)nc(-c2ccccn2)n1.
What is the InChIKey of 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is CZUIIROHHNGDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8(2)15-11-7-10(13(18)19)16-12(17-11)9-5-3-4-6-14-9/h3-8H,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).