1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol

C15H21N3O2 — CID 21333191

IUPAC1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol
SMILESCN1CC=CN=C1OCC(O)CNCc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-18-9-5-8-17-15(18)20-12-14(19)11-16-10-13-6-3-2-4-7-13/h2-8,14,16,19H,9-12H2,1H3
InChIKeyAYEAUBZRGPOLHT-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.97
Rot. Bonds6

About 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol

1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol (PubChem CID 21333191) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol
PubChem CID21333191
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol
SMILESCN1CC=CN=C1OCC(O)CNCc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-18-9-5-8-17-15(18)20-12-14(19)11-16-10-13-6-3-2-4-7-13/h2-8,14,16,19H,9-12H2,1H3
InChIKeyAYEAUBZRGPOLHT-UHFFFAOYSA-N
XLogP0.97
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
1-(benzylamino)-3-(4-bromophenoxy)propan-2-ol
CID 10359618
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-(benzylamino)-3-(4-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 10405576
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
CID 42614671
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633001
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
(2S)-1-(benzylamino)-3-prop-2-enoxypropan-2-ol
CID 34178559
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol (CID 21333191) is 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol is CN1CC=CN=C1OCC(O)CNCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol?
The InChIKey is AYEAUBZRGPOLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-9-5-8-17-15(18)20-12-14(19)11-16-10-13-6-3-2-4-7-13/h2-8,14,16,19H,9-12H2,1H3.
What are the key properties of 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol?
1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-[(3-methyl-4H-pyrimidin-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 21333191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).