(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine

C15H16ClN3O — CID 161143915

IUPAC(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
SMILESClc1cc(Cc2ccc([C@@H]3CNCCO3)cc2)ncn1
InChIInChI=1S/C15H16ClN3O/c16-15-8-13(18-10-19-15)7-11-1-3-12(4-2-11)14-9-17-5-6-20-14/h1-4,8,10,14,17H,5-7,9H2/t14-/m0/s1
InChIKeyUNULILOHFICBEW-AWEZNQCLSA-N
MW289.77 g/mol
LogP2.38
Rot. Bonds3

About (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine

(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine (PubChem CID 161143915) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
PubChem CID161143915
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
SMILESClc1cc(Cc2ccc([C@@H]3CNCCO3)cc2)ncn1
InChIInChI=1S/C15H16ClN3O/c16-15-8-13(18-10-19-15)7-11-1-3-12(4-2-11)14-9-17-5-6-20-14/h1-4,8,10,14,17H,5-7,9H2/t14-/m0/s1
InChIKeyUNULILOHFICBEW-AWEZNQCLSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
CID 158805373
(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
CID 159619317
(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
CID 147052117
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
1-(6-chloro-3-pyridinyl)-2-[4-[(2R)-morpholin-2-yl]phenyl]ethanone
CID 58315544
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
6-chloro-N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]pyridine-3-carboxamide
CID 58315714
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-[3-chloro-4-[(2,6-dichlorophenyl)methoxy]phenyl]morpholine;2-[4-[2-(2,6-dichlorophenyl)ethyl]phenyl]morpholine;2-[4-[(2,6-dichlorophenyl)methyl]phenyl]morpholine
CID 157346980
(2S)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 161462801
(2R)-2-[5-[(5-bromo-2-pyridinyl)methyl]-2-pyridinyl]morpholine
CID 153159323

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine?
The IUPAC name of (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine (CID 161143915) is (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine.
What is the SMILES notation for (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine?
The canonical SMILES for (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine is Clc1cc(Cc2ccc([C@@H]3CNCCO3)cc2)ncn1.
What is the InChIKey of (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine?
The InChIKey is UNULILOHFICBEW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-15-8-13(18-10-19-15)7-11-1-3-12(4-2-11)14-9-17-5-6-20-14/h1-4,8,10,14,17H,5-7,9H2/t14-/m0/s1.
What are the key properties of (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine?
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine has a molecular weight of 289.77 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine is sourced from PubChem (CID 161143915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).