6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C13H11ClF3N3O — CID 106767088

IUPAC6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(Cl)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11ClF3N3O/c1-21-9-4-2-8(3-5-9)7-18-11-6-10(14)19-12(20-11)13(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyVPYHZGDJQBPILR-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.77
Rot. Bonds4

About 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767088) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767088
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOc1ccc(CNc2cc(Cl)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H11ClF3N3O/c1-21-9-4-2-8(3-5-9)7-18-11-6-10(14)19-12(20-11)13(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyVPYHZGDJQBPILR-UHFFFAOYSA-N
XLogP3.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768408
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
CID 82463263
6-chloro-N-[(4-ethylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106900562
6-[(4-methoxyphenyl)methylamino]-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 174777830
6-chloro-N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767581
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
6-N-ethyl-4-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770554
7-methoxy-N-[(4-methylphenyl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 110431386

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767088) is 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is COc1ccc(CNc2cc(Cl)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is VPYHZGDJQBPILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-21-9-4-2-8(3-5-9)7-18-11-6-10(14)19-12(20-11)13(15,16)17/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 317.70 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).