N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine

C19H16F3N3O — CID 122206381

IUPACN-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1ccccc1)c1nc(OCc2ccccc2)ncc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O/c1-25(15-10-6-3-7-11-15)17-16(19(20,21)22)12-23-18(24-17)26-13-14-8-4-2-5-9-14/h2-12H,13H2,1H3
InChIKeySUHGANDNTPOCSQ-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.84
Rot. Bonds5

About N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine

N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 122206381) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID122206381
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1ccccc1)c1nc(OCc2ccccc2)ncc1C(F)(F)F
InChIInChI=1S/C19H16F3N3O/c1-25(15-10-6-3-7-11-15)17-16(19(20,21)22)12-23-18(24-17)26-13-14-8-4-2-5-9-14/h2-12H,13H2,1H3
InChIKeySUHGANDNTPOCSQ-UHFFFAOYSA-N
XLogP4.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(16E)-19-methyl-14-oxa-5,7,19,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 16739949
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(16E)-14-methyl-19-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8,10,12(26),16,21(25),22-decaene
CID 56946378
2-(2-Fluorophenyl)-5-[[4-(methoxymethyl)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44427152
[4-(4-Fluoroanilino)pyrimidin-5-yl]-phenylmethanol
CID 137633343
5-[3-Methoxy-3-(3-phenyldiazenylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 168277963
5-chloro-2-N-[4-(ethoxymethyl)phenyl]-4-N-[(3-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 168281360
5-[3-Methoxy-3-(4-phenyldiazenylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 168286514
[3-[[5-Fluoro-2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]amino]phenyl]methanol
CID 22060551
8-[(4-Fluorophenyl)methyl]-6-methyl-2-phenylmethoxypteridin-7-one
CID 3233195
8-(2-Phenylethyl)-2-phenylmethoxypteridin-7-one
CID 3233211

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine (CID 122206381) is N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine is CN(c1ccccc1)c1nc(OCc2ccccc2)ncc1C(F)(F)F.
What is the InChIKey of N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SUHGANDNTPOCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-25(15-10-6-3-7-11-15)17-16(19(20,21)22)12-23-18(24-17)26-13-14-8-4-2-5-9-14/h2-12H,13H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 359.35 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-phenylmethoxy-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 122206381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).