5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C15H15FN6O — CID 176586599

IUPAC5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCOC2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H15FN6O/c16-10-5-8(11-1-3-18-22-11)6-12-13(10)14(21-15(17)20-12)19-9-2-4-23-7-9/h1,3,5-6,9H,2,4,7H2,(H,18,22)(H3,17,19,20,21)
InChIKeyBVUAJYCMDWKQDP-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.94
Rot. Bonds3

About 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 176586599) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID176586599
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CCOC2)c2c(F)cc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C15H15FN6O/c16-10-5-8(11-1-3-18-22-11)6-12-13(10)14(21-15(17)20-12)19-9-2-4-23-7-9/h1,3,5-6,9H,2,4,7H2,(H,18,22)(H3,17,19,20,21)
InChIKeyBVUAJYCMDWKQDP-UHFFFAOYSA-N
XLogP1.94
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

2-[[2-[(1S)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
CID 46207055
2-[[2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)quinazolin-4-yl]-methylamino]ethanol
CID 68623896
4-(1H-indazol-3-yl)-N-(2-methoxyethyl)pyridin-2-amine
CID 85472971
N-(4-(3-morpholino-1H-1,2,4-triazol-1-yl)phenyl)-7-(1H-pyrazol-4-yl)quinazolin-2-amine
CID 54581287
N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]-7-(1H-pyrazol-5-yl)quinazolin-2-amine
CID 166631125
N-(2-morpholino-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-(6-(3-fluorophenyl)-2-morpholinopyrimidin-4-yl)-1H-indazol-5-amine
CID 52948541
1-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(oxolan-3-yl)urea
CID 92044874
US9969749, Example 2-14
CID 130446851
US9969749, Example 2-9
CID 130446869
6-(1H-Indazol-6-yl)pyrimidine-2,4-diamine
CID 127263725
5-fluoro-2-N-(2-phenylethyl)-4-N-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 164628478

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 176586599) is 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(NC2CCOC2)c2c(F)cc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is BVUAJYCMDWKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-10-5-8(11-1-3-18-22-11)6-12-13(10)14(21-15(17)20-12)19-9-2-4-23-7-9/h1,3,5-6,9H,2,4,7H2,(H,18,22)(H3,17,19,20,21).
What are the key properties of 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 314.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 176586599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).