(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine

C15H17N3O — CID 118936180

IUPAC(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine
SMILESc1cnc(-c2cccc(C[C@@H]3COCCN3)c2)nc1
InChIInChI=1S/C15H17N3O/c1-3-12(10-14-11-19-8-7-16-14)9-13(4-1)15-17-5-2-6-18-15/h1-6,9,14,16H,7-8,10-11H2/t14-/m1/s1
InChIKeyVBNIELQBJDMIEK-CQSZACIVSA-N
MW255.32 g/mol
LogP1.67
Rot. Bonds3

About (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine

(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine (PubChem CID 118936180) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine
PubChem CID118936180
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine
SMILESc1cnc(-c2cccc(C[C@@H]3COCCN3)c2)nc1
InChIInChI=1S/C15H17N3O/c1-3-12(10-14-11-19-8-7-16-14)9-13(4-1)15-17-5-2-6-18-15/h1-6,9,14,16H,7-8,10-11H2/t14-/m1/s1
InChIKeyVBNIELQBJDMIEK-CQSZACIVSA-N
XLogP1.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-pyridin-2-ylphenyl)methyl]morpholine
CID 118936323
(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride
CID 118936174
(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride
CID 118117299
(3R)-3-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
CID 150195108
3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
CID 116881165
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72904926
3-(2-phenylethyl)morpholine
CID 54013840
6-(morpholin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 116994141
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459
(3S)-3-[[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 97201377
3-(3,4-dihydro-2H-thiochromen-6-ylmethyl)morpholine
CID 116927974

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine?
The IUPAC name of (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine (CID 118936180) is (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine.
What is the SMILES notation for (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine?
The canonical SMILES for (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine is c1cnc(-c2cccc(C[C@@H]3COCCN3)c2)nc1.
What is the InChIKey of (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine?
The InChIKey is VBNIELQBJDMIEK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-12(10-14-11-19-8-7-16-14)9-13(4-1)15-17-5-2-6-18-15/h1-6,9,14,16H,7-8,10-11H2/t14-/m1/s1.
What are the key properties of (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine?
(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine has a molecular weight of 255.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine is sourced from PubChem (CID 118936180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).