4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H11F3N4O — CID 106769991

IUPAC4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N4O/c1-20-8-4-2-7(3-5-8)17-10-6-9(16)18-11(19-10)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyXTZKFIWHVFOOKF-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.83
Rot. Bonds3

About 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106769991) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106769991
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H11F3N4O/c1-20-8-4-2-7(3-5-8)17-10-6-9(16)18-11(19-10)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyXTZKFIWHVFOOKF-UHFFFAOYSA-N
XLogP2.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106769991) is 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is COc1ccc(Nc2cc(N)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is XTZKFIWHVFOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-20-8-4-2-7(3-5-8)17-10-6-9(16)18-11(19-10)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 284.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106769991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).