N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

C18H14F4N4O — CID 70686766

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H14F4N4O/c1-27-15-10-25-16(14-4-2-3-7-23-14)26-17(15)24-9-11-5-6-12(19)8-13(11)18(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,26)
InChIKeyWZTXCIJAMBUMOO-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.32
Rot. Bonds5

About N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 70686766) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID70686766
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1NCc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C18H14F4N4O/c1-27-15-10-25-16(14-4-2-3-7-23-14)26-17(15)24-9-11-5-6-12(19)8-13(11)18(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,26)
InChIKeyWZTXCIJAMBUMOO-UHFFFAOYSA-N
XLogP4.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

BMS-181101 free base
CID 177836
5-methoxy-N-methyl-N-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470719
N-(2-phenylethyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 44590980
5-Methoxy-N-(1-methylethyl)-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470715
N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 51042017
US10584134, Example 2-2
CID 53234870
5-methoxy-2-pyridin-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 70688843
AS2690168 free base
CID 70695115
N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 70697151
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-methoxy-pyrimidin-4-ylamine
CID 89442709
5-methoxy-2-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 164609596
6-[4-[1-[2-(Ethylamino)ethyl]-4-[4-fluoro-3-(trifluoromethyl)phenyl]imidazol-2-yl]piperidin-1-yl]-5-propan-2-yloxypyrimidin-4-amine
CID 71516766

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine (CID 70686766) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1NCc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is WZTXCIJAMBUMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-27-15-10-25-16(14-4-2-3-7-23-14)26-17(15)24-9-11-5-6-12(19)8-13(11)18(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,26).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 378.33 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 70686766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).