4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C17H19FN6 — CID 154649229

IUPAC4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H19FN6/c18-12-8-10(13-6-7-20-24-13)9-14-15(12)16(23-17(19)22-14)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKXQCHWMFDIZKJR-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.49
Rot. Bonds3

About 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649229) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649229
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCCCC2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H19FN6/c18-12-8-10(13-6-7-20-24-13)9-14-15(12)16(23-17(19)22-14)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,20,24)(H3,19,21,22,23)
InChIKeyKXQCHWMFDIZKJR-UHFFFAOYSA-N
XLogP3.49
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1H-pyrazolo[3,4-g]quinazolin-8-amine
CID 5328241
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
(1-Benzyl-1H-indazol-5-yl)-quinazolin-4-yl-amine
CID 44279444
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
(R)-1-(3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
CID 71555466
1-(3-Fluorophenyl)-3-(3-((7-(1-methyl-1H-pyrazol-4-yl)quinazolin-4-yl)amino)phenyl)urea
CID 154573766
N-((1R)-1-phenylethyl)-6-(1H-pyrazolo(3,4-d)pyrimidin-4-yl)quinazolin-2-amine
CID 135281127
3-methyl-1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093245
1-(3-fluorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093251

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649229) is 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(NC2CCCCC2)c2c(F)cc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is KXQCHWMFDIZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c18-12-8-10(13-6-7-20-24-13)9-14-15(12)16(23-17(19)22-14)21-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,20,24)(H3,19,21,22,23).
What are the key properties of 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 326.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).