6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

C19H17F3N4O — CID 117081723

IUPAC6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(NCc3cccc(C(F)(F)F)c3)nc(N)n2)cc1
InChIInChI=1S/C19H17F3N4O/c1-27-15-7-5-13(6-8-15)16-10-17(26-18(23)25-16)24-11-12-3-2-4-14(9-12)19(20,21)22/h2-10H,11H2,1H3,(H3,23,24,25,26)
InChIKeyLSEVOBSWZMGPOK-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.37
Rot. Bonds5

About 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 117081723) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID117081723
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(-c2cc(NCc3cccc(C(F)(F)F)c3)nc(N)n2)cc1
InChIInChI=1S/C19H17F3N4O/c1-27-15-7-5-13(6-8-15)16-10-17(26-18(23)25-16)24-11-12-3-2-4-14(9-12)19(20,21)22/h2-10H,11H2,1H3,(H3,23,24,25,26)
InChIKeyLSEVOBSWZMGPOK-UHFFFAOYSA-N
XLogP4.37
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 117081723) is 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is COc1ccc(-c2cc(NCc3cccc(C(F)(F)F)c3)nc(N)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is LSEVOBSWZMGPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-27-15-7-5-13(6-8-15)16-10-17(26-18(23)25-16)24-11-12-3-2-4-14(9-12)19(20,21)22/h2-10H,11H2,1H3,(H3,23,24,25,26).
What are the key properties of 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 374.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 117081723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).