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

C27H25F3N4 — CID 44532331

IUPAC4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C27H25F3N4/c1-19-16-25(31-18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22)34-26(33-19)32-17-20-12-14-23(15-13-20)27(28,29)30/h2-16,24H,17-18H2,1H3,(H2,31,32,33,34)
InChIKeyIJUGSQZHWOWBFG-UHFFFAOYSA-N
MW462.52 g/mol
LogP6.66
Rot. Bonds8

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

4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 44532331) has the molecular formula C27H25F3N4 and a molecular weight of 462.52 g/mol. Its IUPAC name is 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID44532331
Molecular FormulaC27H25F3N4
Molecular Weight462.52 g/mol
Exact Mass462.20
IUPAC Name4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C27H25F3N4/c1-19-16-25(31-18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22)34-26(33-19)32-17-20-12-14-23(15-13-20)27(28,29)30/h2-16,24H,17-18H2,1H3,(H2,31,32,33,34)
InChIKeyIJUGSQZHWOWBFG-UHFFFAOYSA-N
XLogP6.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.52
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 44532331) is 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is Cc1cc(NCC(c2ccccc2)c2ccccc2)nc(NCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is IJUGSQZHWOWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4/c1-19-16-25(31-18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22)34-26(33-19)32-17-20-12-14-23(15-13-20)27(28,29)30/h2-16,24H,17-18H2,1H3,(H2,31,32,33,34).
What are the key properties of 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 462.52 g/mol, XLogP of 6.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 44532331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).