4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid

C12H15F2N3O3 — CID 79668892

IUPAC4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)c(C(F)F)n2)C1
InChIInChI=1S/C12H15F2N3O3/c1-2-17-3-4-20-8(6-17)11-15-5-7(12(18)19)9(16-11)10(13)14/h5,8,10H,2-4,6H2,1H3,(H,18,19)
InChIKeyAWDRGHRAHXNLKN-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.51
Rot. Bonds4

About 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 79668892) has the molecular formula C12H15F2N3O3 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID79668892
Molecular FormulaC12H15F2N3O3
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)c(C(F)F)n2)C1
InChIInChI=1S/C12H15F2N3O3/c1-2-17-3-4-20-8(6-17)11-15-5-7(12(18)19)9(16-11)10(13)14/h5,8,10H,2-4,6H2,1H3,(H,18,19)
InChIKeyAWDRGHRAHXNLKN-UHFFFAOYSA-N
XLogP1.51
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 116640989
4-propan-2-yl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664456
ethyl 4-(difluoromethyl)-2-(4-methylmorpholin-2-yl)pyrimidine-5-carboxylate
CID 102973255
4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664457
2-[5-(1-chloroethyl)-4-methylpyrimidin-2-yl]-4-ethylmorpholine
CID 79669754
4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidine-5-carboxylic acid
CID 65415025
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 79663048
2-(4-ethylmorpholin-2-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 79669342
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 79669202
N-[[2-(4-ethylmorpholin-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 79669924
[2-(4-ethylmorpholin-2-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 79669278

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid (CID 79668892) is 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid is CCN1CCOC(c2ncc(C(=O)O)c(C(F)F)n2)C1.
What is the InChIKey of 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is AWDRGHRAHXNLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O3/c1-2-17-3-4-20-8(6-17)11-15-5-7(12(18)19)9(16-11)10(13)14/h5,8,10H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79668892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).