N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine

C19H25N3O2 — CID 124945132

IUPACN-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1
InChIInChI=1S/C19H25N3O2/c1-22(10-12-23-17-7-3-2-4-8-17)15-16-13-20-19(21-14-16)18-9-5-6-11-24-18/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m1/s1
InChIKeyBOTJDBVRXJDCMT-GOSISDBHSA-N
MW327.43 g/mol
LogP3.23
Rot. Bonds7

About N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine

N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine (PubChem CID 124945132) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine
PubChem CID124945132
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1
InChIInChI=1S/C19H25N3O2/c1-22(10-12-23-17-7-3-2-4-8-17)15-16-13-20-19(21-14-16)18-9-5-6-11-24-18/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m1/s1
InChIKeyBOTJDBVRXJDCMT-GOSISDBHSA-N
XLogP3.23
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine with MolForge

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Related Compounds

N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine
CID 124972547
N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 124972535
2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 91834866
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
2-(4-methoxyphenoxy)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124978968
2-(3-fluorophenoxy)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124977627
N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110037589
N-methyl-N-[[3-(2-methylpropyl)-2-[[(2S)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-2-phenoxyethanamine
CID 25285935
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
[2-(oxolan-2-yl)pyrimidin-5-yl]methanamine
CID 65328893
2-(2-phenoxyethoxy)oxane
CID 11736193

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine?
The IUPAC name of N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine (CID 124945132) is N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine.
What is the SMILES notation for N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine?
The canonical SMILES for N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine is CN(CCOc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1.
What is the InChIKey of N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine?
The InChIKey is BOTJDBVRXJDCMT-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(10-12-23-17-7-3-2-4-8-17)15-16-13-20-19(21-14-16)18-9-5-6-11-24-18/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m1/s1.
What are the key properties of N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine?
N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine has a molecular weight of 327.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine is sourced from PubChem (CID 124945132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).