5-(3,4-difluorophenyl)quinazoline-2,4-diamine

C14H10F2N4 — CID 175913106

IUPAC5-(3,4-difluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccc(F)c(F)c3)cccc2n1
InChIInChI=1S/C14H10F2N4/c15-9-5-4-7(6-10(9)16)8-2-1-3-11-12(8)13(17)20-14(18)19-11/h1-6H,(H4,17,18,19,20)
InChIKeyRCBFVKHHHMWPNG-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.74
Rot. Bonds1

About 5-(3,4-difluorophenyl)quinazoline-2,4-diamine

5-(3,4-difluorophenyl)quinazoline-2,4-diamine (PubChem CID 175913106) has the molecular formula C14H10F2N4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)quinazoline-2,4-diamine
PubChem CID175913106
Molecular FormulaC14H10F2N4
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-(3,4-difluorophenyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(-c3ccc(F)c(F)c3)cccc2n1
InChIInChI=1S/C14H10F2N4/c15-9-5-4-7(6-10(9)16)8-2-1-3-11-12(8)13(17)20-14(18)19-11/h1-6H,(H4,17,18,19,20)
InChIKeyRCBFVKHHHMWPNG-UHFFFAOYSA-N
XLogP2.74
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylimidazol-4-yl)quinazoline-2,4-diamine
CID 67309469
6-[3-(4-fluorophenyl)-2-methylphenyl]-5-methylquinazoline-2,4-diamine
CID 134113376
7-(3,4-difluorophenyl)-1H-indole
CID 154814930
2-chloro-5-phenylquinazolin-4-amine
CID 141301329
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
CID 146374126
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81497947
3-(3,4-difluorophenyl)acenaphthylene-1,2-dione
CID 175200912
6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094988
5-[(2-fluorophenyl)methoxy]quinazoline-2,4-diamine
CID 24778025
5-(3-chlorophenyl)-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 69188136

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)quinazoline-2,4-diamine?
The IUPAC name of 5-(3,4-difluorophenyl)quinazoline-2,4-diamine (CID 175913106) is 5-(3,4-difluorophenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-(3,4-difluorophenyl)quinazoline-2,4-diamine?
The canonical SMILES for 5-(3,4-difluorophenyl)quinazoline-2,4-diamine is Nc1nc(N)c2c(-c3ccc(F)c(F)c3)cccc2n1.
What is the InChIKey of 5-(3,4-difluorophenyl)quinazoline-2,4-diamine?
The InChIKey is RCBFVKHHHMWPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4/c15-9-5-4-7(6-10(9)16)8-2-1-3-11-12(8)13(17)20-14(18)19-11/h1-6H,(H4,17,18,19,20).
What are the key properties of 5-(3,4-difluorophenyl)quinazoline-2,4-diamine?
5-(3,4-difluorophenyl)quinazoline-2,4-diamine has a molecular weight of 272.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 175913106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).