2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol

C14H16N6O2 — CID 154649335

IUPAC2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
SMILESNc1nc(NC(CO)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H16N6O2/c15-14-18-12-5-8(11-3-4-16-20-11)1-2-10(12)13(19-14)17-9(6-21)7-22/h1-5,9,21-22H,6-7H2,(H,16,20)(H3,15,17,18,19)
InChIKeyZYFGXPUEDNRBFO-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.37
Rot. Bonds5

About 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol

2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol (PubChem CID 154649335) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
PubChem CID154649335
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol
SMILESNc1nc(NC(CO)CO)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C14H16N6O2/c15-14-18-12-5-8(11-3-4-16-20-11)1-2-10(12)13(19-14)17-9(6-21)7-22/h1-5,9,21-22H,6-7H2,(H,16,20)(H3,15,17,18,19)
InChIKeyZYFGXPUEDNRBFO-UHFFFAOYSA-N
XLogP0.37
TPSA132.97 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propan-2-ol
CID 154998317
4-N-but-1-en-2-yl-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649525
[3-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclobutyl]methanol
CID 154649288
7-(1H-pyrazol-5-yl)-4-N-(pyrimidin-2-ylmethyl)quinazoline-2,4-diamine
CID 154649391
[(1R,2R)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclohexyl]methanol
CID 154649311
4-N-[[(1R)-2,2-difluorocyclopropyl]methyl]-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 175696684
4-N-(1-methylcyclopropyl)-7-(1H-pyrazol-5-yl)quinazoline-2,4-diamine
CID 154649381
cis-(1R,2S)-2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]cyclopentan-1-ol
CID 154649378
7-(1H-pyrazol-5-yl)-4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 154649438
(2R)-3-[[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]amino]propane-1,2-diol
CID 137417579
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 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol (CID 154649335) is 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol is Nc1nc(NC(CO)CO)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol?
The InChIKey is ZYFGXPUEDNRBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c15-14-18-12-5-8(11-3-4-16-20-11)1-2-10(12)13(19-14)17-9(6-21)7-22/h1-5,9,21-22H,6-7H2,(H,16,20)(H3,15,17,18,19).
What are the key properties of 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol?
2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol has a molecular weight of 300.32 g/mol, XLogP of 0.37, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-7-(1H-pyrazol-5-yl)quinazolin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 154649335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).