N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine

C18H24N4O — CID 128983342

IUPACN-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCN(Cc1cncnc1)C[C@@H]1OCCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N4O/c1-21(12-15-10-19-14-20-11-15)13-17-18(22(2)8-9-23-17)16-6-4-3-5-7-16/h3-7,10-11,14,17-18H,8-9,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyVEPUGADAKZBUAA-ROUUACIJSA-N
MW312.42 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine

N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 128983342) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID128983342
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine
SMILESCN(Cc1cncnc1)C[C@@H]1OCCN(C)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N4O/c1-21(12-15-10-19-14-20-11-15)13-17-18(22(2)8-9-23-17)16-6-4-3-5-7-16/h3-7,10-11,14,17-18H,8-9,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyVEPUGADAKZBUAA-ROUUACIJSA-N
XLogP1.98
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 128986917
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
CID 122057321
N,2,4-trimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 128988754
N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 128980841
N,4-dimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 132971950
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
CID 10667503
N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 79971167
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 155492694
(2-amino-1,3-thiazol-5-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-phenylmorpholin-4-yl]methanone
CID 155495074
2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 128979281

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine (CID 128983342) is N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine is CN(Cc1cncnc1)C[C@@H]1OCCN(C)[C@H]1c1ccccc1.
What is the InChIKey of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is VEPUGADAKZBUAA-ROUUACIJSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(12-15-10-19-14-20-11-15)13-17-18(22(2)8-9-23-17)16-6-4-3-5-7-16/h3-7,10-11,14,17-18H,8-9,12-13H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine?
N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 312.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 128983342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).