N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine

C18H23N3O2 — CID 124972547

IUPACN-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1ccnc([C@H]2CCCO2)n1
InChIInChI=1S/C18H23N3O2/c1-21(11-13-22-16-6-3-2-4-7-16)14-15-9-10-19-18(20-15)17-8-5-12-23-17/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m1/s1
InChIKeyKDVBRIXNBSZBHN-QGZVFWFLSA-N
MW313.40 g/mol
LogP2.84
Rot. Bonds7

About N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine

N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine (PubChem CID 124972547) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine
PubChem CID124972547
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine
SMILESCN(CCOc1ccccc1)Cc1ccnc([C@H]2CCCO2)n1
InChIInChI=1S/C18H23N3O2/c1-21(11-13-22-16-6-3-2-4-7-16)14-15-9-10-19-18(20-15)17-8-5-12-23-17/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m1/s1
InChIKeyKDVBRIXNBSZBHN-QGZVFWFLSA-N
XLogP2.84
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine with MolForge

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Related Compounds

N-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-2-phenoxyethanamine
CID 124945132
N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]oxan-4-amine
CID 124970450
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
2-methyl-N-[[2-[(2S)-oxolan-2-yl]pyrimidin-4-yl]methyl]benzenesulfonamide
CID 124964234
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 65328671
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 124974232
4-[2-[methyl(oxolan-2-ylmethyl)amino]ethoxy]aniline
CID 61431012
2-(4-methoxyphenoxy)-N-methyl-N-(oxan-2-ylmethyl)ethanamine
CID 91834866
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyethanamine
CID 134696986
N-methyl-N-[[3-(2-methylpropyl)-2-[[(2S)-oxolan-2-yl]methylsulfonyl]imidazol-4-yl]methyl]-2-phenoxyethanamine
CID 25285935
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyethanamine
CID 134038411

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine?
The IUPAC name of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine (CID 124972547) is N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine.
What is the SMILES notation for N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine?
The canonical SMILES for N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine is CN(CCOc1ccccc1)Cc1ccnc([C@H]2CCCO2)n1.
What is the InChIKey of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine?
The InChIKey is KDVBRIXNBSZBHN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(11-13-22-16-6-3-2-4-7-16)14-15-9-10-19-18(20-15)17-8-5-12-23-17/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m1/s1.
What are the key properties of N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine?
N-methyl-N-[[2-[(2R)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine has a molecular weight of 313.40 g/mol, XLogP of 2.84, 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)-oxolan-2-yl]pyrimidin-4-yl]methyl]-2-phenoxyethanamine is sourced from PubChem (CID 124972547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).