(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride

C16H20ClN3O — CID 118936174

IUPAC(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride
SMILESCc1ccnc(-c2cccc(C[C@@H]3COCCN3)c2)n1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-12-5-6-18-16(19-12)14-4-2-3-13(9-14)10-15-11-20-8-7-17-15;/h2-6,9,15,17H,7-8,10-11H2,1H3;1H/t15-;/m1./s1
InChIKeyAWKIIQUXHPMJOR-XFULWGLBSA-N
MW305.81 g/mol
LogP2.40
Rot. Bonds3

About (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride

(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride (PubChem CID 118936174) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride
PubChem CID118936174
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride
SMILESCc1ccnc(-c2cccc(C[C@@H]3COCCN3)c2)n1.Cl
InChIInChI=1S/C16H19N3O.ClH/c1-12-5-6-18-16(19-12)14-4-2-3-13(9-14)10-15-11-20-8-7-17-15;/h2-6,9,15,17H,7-8,10-11H2,1H3;1H/t15-;/m1./s1
InChIKeyAWKIIQUXHPMJOR-XFULWGLBSA-N
XLogP2.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(3-pyrimidin-2-ylphenyl)methyl]morpholine
CID 118936180
3-[(3-pyridin-2-ylphenyl)methyl]morpholine
CID 118936323
(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-methylfuran-2-yl)methyl]morpholine
CID 116927979
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 72904926
4-(morpholin-3-ylmethyl)pyrimidin-2-amine
CID 83847459
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991
4-methyl-2-[3-(4-methylphenyl)phenyl]pyrimidine
CID 118345332
3-[(4-propylpyrimidin-2-yl)methyl]morpholine
CID 116901884
3-[[5-(3-fluorophenyl)-1H-imidazol-2-yl]methyl]morpholine
CID 116881165
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride?
The IUPAC name of (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride (CID 118936174) is (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride?
The canonical SMILES for (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride is Cc1ccnc(-c2cccc(C[C@@H]3COCCN3)c2)n1.Cl.
What is the InChIKey of (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride?
The InChIKey is AWKIIQUXHPMJOR-XFULWGLBSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c1-12-5-6-18-16(19-12)14-4-2-3-13(9-14)10-15-11-20-8-7-17-15;/h2-6,9,15,17H,7-8,10-11H2,1H3;1H/t15-;/m1./s1.
What are the key properties of (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride?
(3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[3-(4-methylpyrimidin-2-yl)phenyl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 118936174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).