4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine

C12H16F3N3O — CID 56866302

IUPAC4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCCc1nc(N2CCOC(C(F)(F)F)C2)ncc1C
InChIInChI=1S/C12H16F3N3O/c1-3-9-8(2)6-16-11(17-9)18-4-5-19-10(7-18)12(13,14)15/h6,10H,3-5,7H2,1-2H3
InChIKeyKCGDIWJQCXAWIT-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.11
Rot. Bonds2

About 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine

4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56866302) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
PubChem CID56866302
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine
SMILESCCc1nc(N2CCOC(C(F)(F)F)C2)ncc1C
InChIInChI=1S/C12H16F3N3O/c1-3-9-8(2)6-16-11(17-9)18-4-5-19-10(7-18)12(13,14)15/h6,10H,3-5,7H2,1-2H3
InChIKeyKCGDIWJQCXAWIT-UHFFFAOYSA-N
XLogP2.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-7-[2-(2,2,2-trifluoroethoxy)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53565323
7-[2-(2,2,2-trifluoroethoxy)ethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53568970
7-(2-propan-2-yloxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53571616
7-(2-ethoxyethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 53572016
2-[4-(5-Methylpyrimidin-4-yl)piperidin-1-yl]ethanol
CID 73439066
4,5-Dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75436396
4-(5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 16228818
4-[6-Isopropyl-2-(trifluoromethyl)pyrimidin-4-YL]-2-(trifluoromethyl)morpholine
CID 56880225
2-(methoxymethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 115649780
4-(6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)morpholine
CID 45107011
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine (CID 56866302) is 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine is CCc1nc(N2CCOC(C(F)(F)F)C2)ncc1C.
What is the InChIKey of 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is KCGDIWJQCXAWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-3-9-8(2)6-16-11(17-9)18-4-5-19-10(7-18)12(13,14)15/h6,10H,3-5,7H2,1-2H3.
What are the key properties of 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine?
4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 275.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methylpyrimidin-2-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56866302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).