4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine

C22H24N4O — CID 95551297

IUPAC4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C22H24N4O/c23-22-24-12-11-21(25-22)26-13-14-27-19(16-26)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,19-20H,13-16H2,(H2,23,24,25)/t19-/m0/s1
InChIKeyDUWQYPOWKPAHEI-IBGZPJMESA-N
MW360.46 g/mol
LogP3.49
Rot. Bonds5

About 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine

4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine (PubChem CID 95551297) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine
PubChem CID95551297
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)n1
InChIInChI=1S/C22H24N4O/c23-22-24-12-11-21(25-22)26-13-14-27-19(16-26)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,19-20H,13-16H2,(H2,23,24,25)/t19-/m0/s1
InChIKeyDUWQYPOWKPAHEI-IBGZPJMESA-N
XLogP3.49
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552034
4-[(2R)-2-(2,2-diphenylethyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95552033
2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
CID 56862185
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953
(2R)-2-[(4-methoxyphenyl)methyl]-4-(2-methylpyrimidin-4-yl)morpholine
CID 124990787
5-(2-ethylmorpholin-4-yl)pyrazin-2-amine
CID 80652381
2-(iodomethyl)-4-pyrimidin-4-ylmorpholine
CID 166768372
4-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrimidin-2-amine
CID 178108093
4-(3-benzhydryl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 56754033
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine (CID 95551297) is 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine is Nc1nccc(N2CCO[C@@H](CC(c3ccccc3)c3ccccc3)C2)n1.
What is the InChIKey of 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine?
The InChIKey is DUWQYPOWKPAHEI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N4O/c23-22-24-12-11-21(25-22)26-13-14-27-19(16-26)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,19-20H,13-16H2,(H2,23,24,25)/t19-/m0/s1.
What are the key properties of 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine?
4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 95551297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).