5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid

C12H16N2O3 — CID 62084523

IUPAC5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCC2CC2)c(C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-7(2)11-13-5-9(10(14-11)12(15)16)17-6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyZMJOZSVMDQVGFM-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.09
Rot. Bonds5

About 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62084523) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62084523
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1ncc(OCC2CC2)c(C(=O)O)n1
InChIInChI=1S/C12H16N2O3/c1-7(2)11-13-5-9(10(14-11)12(15)16)17-6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,15,16)
InChIKeyZMJOZSVMDQVGFM-UHFFFAOYSA-N
XLogP2.09
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-2-methyl-4-pyrimidinecarboxylic acid
CID 10909945
5-Methoxypyrimidine-4-carboxylic acid
CID 82651721
2-Chloro-5-methoxypyrimidine-4-carboxylic acid
CID 130290275
4-Pyrimidinecarboxylic acid, 5-(cyclohexyloxy)-2-(1-methylethyl)-
CID 62085600
5-Cyclobutoxy-2-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 62116822
2-(Dimethylamino)-5-methoxypyrimidine-4-carboxylic acid
CID 84071002
5-[(1-methyl-1H-pyrazol-4-yl)oxy]-2-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 113564524
Methyl 5-methoxy-2-methylpyrimidine-4-carboxylate
CID 14037868
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid
CID 62085762
2-Propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboxylic acid
CID 66277590
5-(2,2-Difluoroethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 82004733
2-Propan-2-yl-5-(4,4,4-trifluorobutoxy)pyrimidine-4-carboxylic acid
CID 82789412

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62084523) is 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1ncc(OCC2CC2)c(C(=O)O)n1.
What is the InChIKey of 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is ZMJOZSVMDQVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)11-13-5-9(10(14-11)12(15)16)17-6-8-3-4-8/h5,7-8H,3-4,6H2,1-2H3,(H,15,16).
What are the key properties of 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62084523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).