(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine

C16H19N3O — CID 147724595

IUPAC(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
SMILESCc1ncc(Cc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C16H19N3O/c1-12-18-9-14(10-19-12)8-13-2-4-15(5-3-13)16-11-17-6-7-20-16/h2-5,9-10,16-17H,6-8,11H2,1H3/t16-/m1/s1
InChIKeyGXFVDPTUUGFABS-MRXNPFEDSA-N
MW269.35 g/mol
LogP2.04
Rot. Bonds3

About (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine

(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine (PubChem CID 147724595) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
PubChem CID147724595
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
SMILESCc1ncc(Cc2ccc([C@H]3CNCCO3)cc2)cn1
InChIInChI=1S/C16H19N3O/c1-12-18-9-14(10-19-12)8-13-2-4-15(5-3-13)16-11-17-6-7-20-16/h2-5,9-10,16-17H,6-8,11H2,1H3/t16-/m1/s1
InChIKeyGXFVDPTUUGFABS-MRXNPFEDSA-N
XLogP2.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
CID 161143915
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(6-bromo-3-pyridinyl)morpholine;hydrochloride
CID 170910722
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
CID 159619317
(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
CID 158805373
(2R)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 153159323
(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 161462801
2-(4-morpholin-2-ylphenyl)-1,3-thiazol-5-amine
CID 175281556
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine (CID 147724595) is (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine is Cc1ncc(Cc2ccc([C@H]3CNCCO3)cc2)cn1.
What is the InChIKey of (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine?
The InChIKey is GXFVDPTUUGFABS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-18-9-14(10-19-12)8-13-2-4-15(5-3-13)16-11-17-6-7-20-16/h2-5,9-10,16-17H,6-8,11H2,1H3/t16-/m1/s1.
What are the key properties of (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine?
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine has a molecular weight of 269.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 147724595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).