7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine

C19H21F2N5 — CID 69075498

IUPAC7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine
SMILESCN1C(N)=Nc2cc(-c3cc(F)cc(F)c3N3CCCC3)ccc2C1N
InChIInChI=1S/C19H21F2N5/c1-25-18(22)13-5-4-11(8-16(13)24-19(25)23)14-9-12(20)10-15(21)17(14)26-6-2-3-7-26/h4-5,8-10,18H,2-3,6-7,22H2,1H3,(H2,23,24)
InChIKeyJXQZUSXWYNZMES-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.08
Rot. Bonds2

About 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine

7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine (PubChem CID 69075498) has the molecular formula C19H21F2N5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine
PubChem CID69075498
Molecular FormulaC19H21F2N5
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine
SMILESCN1C(N)=Nc2cc(-c3cc(F)cc(F)c3N3CCCC3)ccc2C1N
InChIInChI=1S/C19H21F2N5/c1-25-18(22)13-5-4-11(8-16(13)24-19(25)23)14-9-12(20)10-15(21)17(14)26-6-2-3-7-26/h4-5,8-10,18H,2-3,6-7,22H2,1H3,(H2,23,24)
InChIKeyJXQZUSXWYNZMES-UHFFFAOYSA-N
XLogP3.08
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-2-(2-fluorophenyl)-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 17060769
N-(3-Ethyl-phenyl)-2,3-dihydro-indole-1-carboxamidine
CID 11777643
N-[3-(3-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44324536
7-Phenyl-1,4-dihydroquinazolin-2-amine
CID 145962076
1-(3,5-Dimethylphenyl)-6-(2-fluorophenyl)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 17060765
2-(2,2-Dimethylpropyl)-1-[1-[(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]guanidine
CID 155526596
3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
CID 86297837
2-(2,5-Dimethylphenyl)imino-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-amine
CID 134291387
N-(2,5-dimethylphenyl)-5-fluoro-4-methylimino-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-2-amine
CID 155613360
N-benzyl-1-propyl-4H-quinazolin-2-amine
CID 134156428
3-(1,2,3,4-tetrahydronaphthalen-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
CID 86297639
3-(2,3-dihydro-1H-inden-2-yl)-7-propyl-4H-quinazolin-2-amine
CID 86297843

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
The IUPAC name of 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine (CID 69075498) is 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine.
What is the SMILES notation for 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
The canonical SMILES for 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine is CN1C(N)=Nc2cc(-c3cc(F)cc(F)c3N3CCCC3)ccc2C1N.
What is the InChIKey of 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
The InChIKey is JXQZUSXWYNZMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5/c1-25-18(22)13-5-4-11(8-16(13)24-19(25)23)14-9-12(20)10-15(21)17(14)26-6-2-3-7-26/h4-5,8-10,18H,2-3,6-7,22H2,1H3,(H2,23,24).
What are the key properties of 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine?
7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine has a molecular weight of 357.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluoro-2-pyrrolidin-1-ylphenyl)-3-methyl-4H-quinazoline-2,4-diamine is sourced from PubChem (CID 69075498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).