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

C15H21N3O3 — CID 79664457

IUPAC4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCCN1CCOC(c2ncc(C(=O)O)c(C3CC3)n2)C1
InChIInChI=1S/C15H21N3O3/c1-2-5-18-6-7-21-12(9-18)14-16-8-11(15(19)20)13(17-14)10-3-4-10/h8,10,12H,2-7,9H2,1H3,(H,19,20)
InChIKeyWPKXNOQTFUHQKB-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.84
Rot. Bonds5

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

4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 79664457) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID79664457
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCCN1CCOC(c2ncc(C(=O)O)c(C3CC3)n2)C1
InChIInChI=1S/C15H21N3O3/c1-2-5-18-6-7-21-12(9-18)14-16-8-11(15(19)20)13(17-14)10-3-4-10/h8,10,12H,2-7,9H2,1H3,(H,19,20)
InChIKeyWPKXNOQTFUHQKB-UHFFFAOYSA-N
XLogP1.84
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664456
4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 116640989
4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79668892
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-propylmorpholine
CID 79669077
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65390332
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
[6-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidin-4-yl]hydrazine
CID 79657417
6-methyl-2-(4-propylmorpholin-2-yl)pyrimidine-4-carbaldehyde
CID 79657111
4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360273

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid (CID 79664457) is 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid is CCCN1CCOC(c2ncc(C(=O)O)c(C3CC3)n2)C1.
What is the InChIKey of 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is WPKXNOQTFUHQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-5-18-6-7-21-12(9-18)14-16-8-11(15(19)20)13(17-14)10-3-4-10/h8,10,12H,2-7,9H2,1H3,(H,19,20).
What are the key properties of 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79664457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).