2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid

C17H19ClN2O3 — CID 68878276

IUPAC2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid
SMILESCC(C)Oc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)O
InChIInChI=1S/C17H19ClN2O3/c1-9(2)14-13(17(21)22)16(23-10(3)4)20-15(19-14)11-5-7-12(18)8-6-11/h5-10H,1-4H3,(H,21,22)
InChIKeyFIKJTXYAZKLMLX-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid

2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid (PubChem CID 68878276) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid
PubChem CID68878276
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid
SMILESCC(C)Oc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)O
InChIInChI=1S/C17H19ClN2O3/c1-9(2)14-13(17(21)22)16(23-10(3)4)20-15(19-14)11-5-7-12(18)8-6-11/h5-10H,1-4H3,(H,21,22)
InChIKeyFIKJTXYAZKLMLX-UHFFFAOYSA-N
XLogP4.41
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-chlorophenyl)-4-(cyclopropylmethoxy)-6-propan-2-ylpyrimidine-5-carboxylate
CID 70256806
2-(4-chlorophenyl)-4-ethoxy-6-(2-methylpropyl)pyrimidine-5-carboxylic acid
CID 70257524
5-(aminomethyl)-4-(4-chlorophenyl)-6-(2-methylpropyl)-2-propan-2-ylpyridine-3-carboxylic acid;dihydrochloride
CID 69447430
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169881
2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
CID 66737668
7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984412
6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CID 46863985
2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 114015723
(2S,3S)-2-[[2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]methylamino]-3-methylpentanoic acid
CID 122100310
ethyl 2-(4-chlorophenyl)-4-cyclopentyloxy-6-methylpyrimidine-5-carboxylate
CID 70261328
6-chloro-4-phenyl-2-(1,1,1-trifluoropropan-2-yloxy)quinoline-3-carboxylic acid
CID 71556622
2-chloro-6-propan-2-yloxybenzoic acid
CID 28604889

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid (CID 68878276) is 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid is CC(C)Oc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)O.
What is the InChIKey of 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
The InChIKey is FIKJTXYAZKLMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-9(2)14-13(17(21)22)16(23-10(3)4)20-15(19-14)11-5-7-12(18)8-6-11/h5-10H,1-4H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid?
2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid has a molecular weight of 334.80 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-propan-2-yl-6-propan-2-yloxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 68878276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).