[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol

C16H18N6O — CID 154649288

IUPAC[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
SMILESNc1nc(NC2CC(CO)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N6O/c17-16-20-14-7-10(13-3-4-18-22-13)1-2-12(14)15(21-16)19-11-5-9(6-11)8-23/h1-4,7,9,11,23H,5-6,8H2,(H,18,22)(H3,17,19,20,21)
InChIKeyQDBDMAMBWWMMBW-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.78
Rot. Bonds4

About [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol

[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol (PubChem CID 154649288) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
PubChem CID154649288
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
SMILESNc1nc(NC2CC(CO)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H18N6O/c17-16-20-14-7-10(13-3-4-18-22-13)1-2-12(14)15(21-16)19-11-5-9(6-11)8-23/h1-4,7,9,11,23H,5-6,8H2,(H,18,22)(H3,17,19,20,21)
InChIKeyQDBDMAMBWWMMBW-UHFFFAOYSA-N
XLogP1.78
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
CID 154649311
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
CID 154649335
4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649381
formic acid;4-N-[[(2S)-oxolan-2-yl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175739698
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 154649438
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649329
4-N-[(2-methoxypyrimidin-5-yl)methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649367

Frequently Asked Questions

What is the IUPAC name of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol?
The IUPAC name of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol (CID 154649288) is [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol.
What is the SMILES notation for [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol?
The canonical SMILES for [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol is Nc1nc(NC2CC(CO)C2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol?
The InChIKey is QDBDMAMBWWMMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c17-16-20-14-7-10(13-3-4-18-22-13)1-2-12(14)15(21-16)19-11-5-9(6-11)8-23/h1-4,7,9,11,23H,5-6,8H2,(H,18,22)(H3,17,19,20,21).
What are the key properties of [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol?
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol has a molecular weight of 310.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol is sourced from PubChem (CID 154649288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).