N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine

C18H21F3N4O — CID 133274545

IUPACN,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC(c2ccccc2)O1
InChIInChI=1S/C18H21F3N4O/c1-12-10-25(11-14(26-12)13-7-5-4-6-8-13)17-22-15(18(19,20)21)9-16(23-17)24(2)3/h4-9,12,14H,10-11H2,1-3H3
InChIKeyKMKRSFXDBPSAFD-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.53
Rot. Bonds3

About N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133274545) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133274545
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC(c2ccccc2)O1
InChIInChI=1S/C18H21F3N4O/c1-12-10-25(11-14(26-12)13-7-5-4-6-8-13)17-22-15(18(19,20)21)9-16(23-17)24(2)3/h4-9,12,14H,10-11H2,1-3H3
InChIKeyKMKRSFXDBPSAFD-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6R)-2-methyl-6-phenyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 100841353
methyl (6S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylmorpholine-2-carboxylate
CID 133379698
2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274501
5-[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497568
2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133275801
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
CID 133271070
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133316055
N,N-dimethyl-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133279645
N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133314312
2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 133274545) is N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine is CC1CN(c2nc(N(C)C)cc(C(F)(F)F)n2)CC(c2ccccc2)O1.
What is the InChIKey of N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is KMKRSFXDBPSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-12-10-25(11-14(26-12)13-7-5-4-6-8-13)17-22-15(18(19,20)21)9-16(23-17)24(2)3/h4-9,12,14H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 366.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methyl-6-phenylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133274545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).