(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol

C16H16N4O2 — CID 11150616

IUPAC(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
SMILESOC[C@@H](O)CNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C16H16N4O2/c21-10-12(22)9-18-16-13-3-1-2-4-14(13)19-15(20-16)11-5-7-17-8-6-11/h1-8,12,21-22H,9-10H2,(H,18,19,20)/t12-/m0/s1
InChIKeyAXBHVEYXUYUXDD-LBPRGKRZSA-N
MW296.33 g/mol
LogP1.46
Rot. Bonds5

About (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol

(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol (PubChem CID 11150616) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
PubChem CID11150616
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
SMILESOC[C@@H](O)CNc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C16H16N4O2/c21-10-12(22)9-18-16-13-3-1-2-4-14(13)19-15(20-16)11-5-7-17-8-6-11/h1-8,12,21-22H,9-10H2,(H,18,19,20)/t12-/m0/s1
InChIKeyAXBHVEYXUYUXDD-LBPRGKRZSA-N
XLogP1.46
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
(2S)-2-phenyl-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]ethanol
CID 58919648
5-[(2-pyridin-4-ylquinazolin-4-yl)amino]pentanenitrile
CID 133299899
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
2,2,2-trifluoro-1-[4-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]piperidin-1-yl]ethanone
CID 133346991
[1-phenyl-3-[(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]propan-2-yl]urea
CID 86716626
1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
CID 133276695

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol (CID 11150616) is (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol is OC[C@@H](O)CNc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol?
The InChIKey is AXBHVEYXUYUXDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-10-12(22)9-18-16-13-3-1-2-4-14(13)19-15(20-16)11-5-7-17-8-6-11/h1-8,12,21-22H,9-10H2,(H,18,19,20)/t12-/m0/s1.
What are the key properties of (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol?
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol has a molecular weight of 296.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 11150616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).