3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one

C16H19N3O2 — CID 46231612

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccncn1
InChIInChI=1S/C16H19N3O2/c20-11-10-19(12-14-4-2-1-3-5-14)9-7-16(21)15-6-8-17-13-18-15/h1-6,8,13,20H,7,9-12H2
InChIKeyOSHHFVYIEYIFHV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.54
Rot. Bonds8

About 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one

3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one (PubChem CID 46231612) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one
PubChem CID46231612
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccncn1
InChIInChI=1S/C16H19N3O2/c20-11-10-19(12-14-4-2-1-3-5-14)9-7-16(21)15-6-8-17-13-18-15/h1-6,8,13,20H,7,9-12H2
InChIKeyOSHHFVYIEYIFHV-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
2-[benzyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60649363
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one
CID 94723325
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
CID 62114945
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)propanamide
CID 3787915
azane;3-(dibenzylamino)propanoic acid
CID 162310692
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one (CID 46231612) is 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one is O=C(CCN(CCO)Cc1ccccc1)c1ccncn1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one?
The InChIKey is OSHHFVYIEYIFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-11-10-19(12-14-4-2-1-3-5-14)9-7-16(21)15-6-8-17-13-18-15/h1-6,8,13,20H,7,9-12H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one?
3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-pyrimidin-4-ylpropan-1-one is sourced from PubChem (CID 46231612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).