1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine

C23H23F3N4 — CID 67466212

IUPAC1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine
SMILESNC1c2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C(N)N1Cc1ccccc1
InChIInChI=1S/C23H23F3N4/c24-23(25,26)18-11-12-19-20(13-18)29(14-16-7-3-1-4-8-16)22(28)30(21(19)27)15-17-9-5-2-6-10-17/h1-13,21-22H,14-15,27-28H2
InChIKeyKHYAKXZJBRZQEM-UHFFFAOYSA-N
MW412.46 g/mol
LogP4.43
Rot. Bonds4

About 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine

1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine (PubChem CID 67466212) has the molecular formula C23H23F3N4 and a molecular weight of 412.46 g/mol. Its IUPAC name is 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine
PubChem CID67466212
Molecular FormulaC23H23F3N4
Molecular Weight412.46 g/mol
Exact Mass412.19
IUPAC Name1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine
SMILESNC1c2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C(N)N1Cc1ccccc1
InChIInChI=1S/C23H23F3N4/c24-23(25,26)18-11-12-19-20(13-18)29(14-16-7-3-1-4-8-16)22(28)30(21(19)27)15-17-9-5-2-6-10-17/h1-13,21-22H,14-15,27-28H2
InChIKeyKHYAKXZJBRZQEM-UHFFFAOYSA-N
XLogP4.43
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine?
The IUPAC name of 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine (CID 67466212) is 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine is NC1c2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C(N)N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine?
The InChIKey is KHYAKXZJBRZQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4/c24-23(25,26)18-11-12-19-20(13-18)29(14-16-7-3-1-4-8-16)22(28)30(21(19)27)15-17-9-5-2-6-10-17/h1-13,21-22H,14-15,27-28H2.
What are the key properties of 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine?
1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine has a molecular weight of 412.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-7-(trifluoromethyl)-2,4-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 67466212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).