4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

C17H18N6O — CID 154649562

IUPAC4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CC3CCC2O3)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H18N6O/c18-17-21-13-7-9(12-5-6-19-23-12)1-3-11(13)16(22-17)20-14-8-10-2-4-15(14)24-10/h1,3,5-7,10,14-15H,2,4,8H2,(H,19,23)(H3,18,20,21,22)
InChIKeyZLULIXYOOVYQQK-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.33
Rot. Bonds3

About 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine

4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (PubChem CID 154649562) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
PubChem CID154649562
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
SMILESNc1nc(NC2CC3CCC2O3)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C17H18N6O/c18-17-21-13-7-9(12-5-6-19-23-12)1-3-11(13)16(22-17)20-14-8-10-2-4-15(14)24-10/h1,3,5-7,10,14-15H,2,4,8H2,(H,19,23)(H3,18,20,21,22)
InChIKeyZLULIXYOOVYQQK-UHFFFAOYSA-N
XLogP2.33
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine with MolForge

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Related Compounds

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
(2R,6S)-2,6-dimethyl-4-[6-[6-(1H-pyrazol-5-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
CID 171357937
4-N-cyclohexyl-5-fluoro-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649229
5-fluoro-4-(1,4-oxazepan-4-yl)-7-(1H-pyrazol-5-yl)quinazolin-2-amine
CID 154649246
2-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]ethanol
CID 154649256
5-fluoro-4-N-[(3R)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649275
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]-4,4,4-trifluorobutan-2-ol
CID 154649428
cis-(1R,3S)-3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 154649439
5-fluoro-4-N-[(3S)-oxolan-3-yl]-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 154997785
5-fluoro-4-N-(oxolan-3-yl)-7-(1H-pyrazol-5-yl)quinoline-2,4-diamine
CID 154997786
trans-(1S,3S)-3-[[2-amino-5-fluoro-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 155006599

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine (CID 154649562) is 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is Nc1nc(NC2CC3CCC2O3)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
The InChIKey is ZLULIXYOOVYQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-17-21-13-7-9(12-5-6-19-23-12)1-3-11(13)16(22-17)20-14-8-10-2-4-15(14)24-10/h1,3,5-7,10,14-15H,2,4,8H2,(H,19,23)(H3,18,20,21,22).
What are the key properties of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine?
4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine has a molecular weight of 322.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 154649562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).