5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C13H12F3N3O — CID 114600577

IUPAC5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1cnc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H12F3N3O/c1-20-11-7-18-12(19-8-11)17-6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8H,6H2,1H3,(H,17,18,19)
InChIKeyFQCLWFUWXNXNLU-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.12
Rot. Bonds4

About 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 114600577) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID114600577
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESCOc1cnc(NCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H12F3N3O/c1-20-11-7-18-12(19-8-11)17-6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8H,6H2,1H3,(H,17,18,19)
InChIKeyFQCLWFUWXNXNLU-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylpyrimidin-5-ol
CID 598996
6-[4-[2-Amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-methoxypyrimidin-4-amine
CID 89442441
2-[Benzyl(ethyl)amino]pyrimidin-5-ol
CID 44395804
1-(4-Fluorobenzyl)-4-(5-methoxy-2-pyrimidinyl)-1,4-diazepane
CID 70768517
5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 51040074
4-Chloro-5-methoxy-2-phenylpyrimidine
CID 4326039
5-Methoxy-2-phenylpyrimidine
CID 21620168
5-(4-fluorophenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 4612465
5-methoxy-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 138005558
1-[[(1R,3R)-2,2-difluoro-3-phenylcyclopropyl]methyl]-3-(5-methoxypyrimidin-4-yl)urea
CID 164637927
(R)-(-)-2-(2',3'-Difluoro-4'-pentylphenyl)-5-(2-fluorooctyloxy)pyrimidine
CID 10993240
2-[4-[(3S)-3-fluorononyl]phenyl]-5-octoxypyrimidine
CID 11144431

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 114600577) is 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is COc1cnc(NCc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is FQCLWFUWXNXNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-20-11-7-18-12(19-8-11)17-6-9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8H,6H2,1H3,(H,17,18,19).
What are the key properties of 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 283.25 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 114600577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).