2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid

C15H18N4O2 — CID 134302095

IUPAC2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid
SMILESCC(C)c1nccc(CC(C)c2nccc(C(=O)O)n2)n1
InChIInChI=1S/C15H18N4O2/c1-9(2)13-16-6-4-11(18-13)8-10(3)14-17-7-5-12(19-14)15(20)21/h4-7,9-10H,8H2,1-3H3,(H,20,21)
InChIKeyOUJNGJDWZZFLKY-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid

2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid (PubChem CID 134302095) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid
PubChem CID134302095
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid
SMILESCC(C)c1nccc(CC(C)c2nccc(C(=O)O)n2)n1
InChIInChI=1S/C15H18N4O2/c1-9(2)13-16-6-4-11(18-13)8-10(3)14-17-7-5-12(19-14)15(20)21/h4-7,9-10H,8H2,1-3H3,(H,20,21)
InChIKeyOUJNGJDWZZFLKY-UHFFFAOYSA-N
XLogP2.43
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116899960
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
6-(2-hydroxypropyl)pyridine-2-carboxylic acid
CID 122637031
3-(4-ethylpyrimidin-2-yl)butanoic acid
CID 116899958
2-propan-2-yl-4-propylpyrimidine
CID 58111235
2-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-4-(2-pyrimidin-5-ylpropyl)pyrimidine
CID 155076697
2-(2-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 83857547
1-(2-butan-2-ylpyrimidin-4-yl)butan-2-amine
CID 63717252
2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid
CID 116731354
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-propan-2-yl-6-[2-[4-(2-pyrimidin-4-ylpropyl)pyrimidin-2-yl]propyl]pyrazine
CID 155052483

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid (CID 134302095) is 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid is CC(C)c1nccc(CC(C)c2nccc(C(=O)O)n2)n1.
What is the InChIKey of 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid?
The InChIKey is OUJNGJDWZZFLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(2)13-16-6-4-11(18-13)8-10(3)14-17-7-5-12(19-14)15(20)21/h4-7,9-10H,8H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid?
2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid has a molecular weight of 286.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-ylpyrimidin-4-yl)propan-2-yl]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 134302095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).