(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine

C15H15F3N4O — CID 95629224

IUPAC(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C15H15F3N4O/c1-10-9-23-6-5-22(10)13-7-12(15(16,17)18)20-14(21-13)11-3-2-4-19-8-11/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m1/s1
InChIKeyIWFOGVUYSLKBAN-SNVBAGLBSA-N
MW324.31 g/mol
LogP2.78
Rot. Bonds2

About (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine

(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (PubChem CID 95629224) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
PubChem CID95629224
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
SMILESC[C@@H]1COCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1
InChIInChI=1S/C15H15F3N4O/c1-10-9-23-6-5-22(10)13-7-12(15(16,17)18)20-14(21-13)11-3-2-4-19-8-11/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m1/s1
InChIKeyIWFOGVUYSLKBAN-SNVBAGLBSA-N
XLogP2.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 133343923
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
CID 133336067
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]phenyl]-3-(1-pyridin-3-ylethyl)urea
CID 57427713
4-[4-(2-cyclopropylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]aniline
CID 59380128
phenyl N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-[2-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]pyrimidin-2-yl]phenyl]carbamate
CID 59380094
4-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
CID 133422902
phenyl N-[4-[4-(2-tert-butylsulfonylpropan-2-yl)-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]carbamate
CID 59380129
phenyl N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-2-yl]phenyl]carbamate
CID 59379977
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
CID 86691143
6-(2-methylpiperidin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170265
(3S)-4-[6-(ethylsulfonylmethyl)-2-phenylpyrimidin-4-yl]-3-methylmorpholine
CID 141203713

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine (CID 95629224) is (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is C[C@@H]1COCCN1c1cc(C(F)(F)F)nc(-c2cccnc2)n1.
What is the InChIKey of (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
The InChIKey is IWFOGVUYSLKBAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-10-9-23-6-5-22(10)13-7-12(15(16,17)18)20-14(21-13)11-3-2-4-19-8-11/h2-4,7-8,10H,5-6,9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine?
(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine has a molecular weight of 324.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 95629224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).