N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine

C13H12F3N3O — CID 106773682

IUPACN-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyYTNKAEQDWODNRS-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.12
Rot. Bonds4

About N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine

N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773682) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773682
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCNc1cc(OCc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O/c1-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyYTNKAEQDWODNRS-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

N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774661
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
6-(2-cyclopropylethoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106207591
2-(1,1-difluoroethyl)-4-phenylmethoxy-6-prop-1-en-2-ylpyrimidine
CID 170730663
6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773577
6-(3,5-dichlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774251
N-methyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774851
N-propyl-6-(thiophen-2-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774376
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
6-(2-bromo-4-chlorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774162
4-ethoxy-N-methyl-6-phenylmethoxy-1,3,5-triazin-2-amine
CID 80859346

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773682) is N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine is CNc1cc(OCc2ccccc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YTNKAEQDWODNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-17-10-7-11(19-12(18-10)13(14,15)16)20-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine?
N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-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 N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).