2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol

C19H25N3O2 — CID 110118077

IUPAC2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccnc(C2CCCOC2)n1
InChIInChI=1S/C19H25N3O2/c23-11-10-22(13-16-5-2-1-3-6-16)14-18-8-9-20-19(21-18)17-7-4-12-24-15-17/h1-3,5-6,8-9,17,23H,4,7,10-15H2
InChIKeyGZWQTJRTAGCLQQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.37
Rot. Bonds7

About 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol

2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol (PubChem CID 110118077) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol
PubChem CID110118077
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccnc(C2CCCOC2)n1
InChIInChI=1S/C19H25N3O2/c23-11-10-22(13-16-5-2-1-3-6-16)14-18-8-9-20-19(21-18)17-7-4-12-24-15-17/h1-3,5-6,8-9,17,23H,4,7,10-15H2
InChIKeyGZWQTJRTAGCLQQ-UHFFFAOYSA-N
XLogP2.37
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol with MolForge

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Related Compounds

2-[benzyl-[[2-[(2R)-2-methyloxolan-2-yl]pyrimidin-4-yl]methyl]amino]ethanol
CID 125008931
N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanesulfonamide
CID 110118014
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]ethanesulfonamide
CID 125021480
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124939962
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]pyrazine-2-carboxamide
CID 124957512
2-(2-fluorophenoxy)-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]acetamide
CID 124987265
1-methyl-4-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,4-diazepane
CID 155983698
5-methyl-N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]thiophene-2-carboxamide
CID 125025075
4-fluoro-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]benzenesulfonamide
CID 110118016
2,4-dimethyl-N-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117950
2-[benzyl-[3-(oxiran-2-yl)propyl]amino]ethanol
CID 130595374
2-[benzyl-[[4-(hydroxymethyl)oxan-4-yl]methyl]amino]ethanol
CID 62390491

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol (CID 110118077) is 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1ccnc(C2CCCOC2)n1.
What is the InChIKey of 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol?
The InChIKey is GZWQTJRTAGCLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-11-10-22(13-16-5-2-1-3-6-16)14-18-8-9-20-19(21-18)17-7-4-12-24-15-17/h1-3,5-6,8-9,17,23H,4,7,10-15H2.
What are the key properties of 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol?
2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol has a molecular weight of 327.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[[2-(oxan-3-yl)pyrimidin-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 110118077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).