4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid

C15H23N3O3 — CID 79664456

IUPAC4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCCN1CCOC(c2ncc(C(=O)O)c(C(C)C)n2)C1
InChIInChI=1S/C15H23N3O3/c1-4-5-18-6-7-21-12(9-18)14-16-8-11(15(19)20)13(17-14)10(2)3/h8,10,12H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyZNGPECFOBZXTBD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.08
Rot. Bonds5

About 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid

4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 79664456) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID79664456
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCCN1CCOC(c2ncc(C(=O)O)c(C(C)C)n2)C1
InChIInChI=1S/C15H23N3O3/c1-4-5-18-6-7-21-12(9-18)14-16-8-11(15(19)20)13(17-14)10(2)3/h8,10,12H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyZNGPECFOBZXTBD-UHFFFAOYSA-N
XLogP2.08
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664457
4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79668892
4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 116640989
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263
2-(4-propylmorpholin-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 79658032
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
5-iodo-N-propyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657646
ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate
CID 102973255
2-[5-(1-chloroethyl)-4-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669754
N-[[6-methyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79664665
N-[[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79668683
1-[4,6-dimethyl-2-(4-propylmorpholin-2-yl)pyrimidin-5-yl]-N-methylmethanamine
CID 79657347

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid (CID 79664456) is 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid is CCCN1CCOC(c2ncc(C(=O)O)c(C(C)C)n2)C1.
What is the InChIKey of 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is ZNGPECFOBZXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-5-18-6-7-21-12(9-18)14-16-8-11(15(19)20)13(17-14)10(2)3/h8,10,12H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79664456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).