(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide

C18H22N4O2 — CID 95839825

IUPAC(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(Cc2cnc(-c3ccccc3)nc2)CCO1
InChIInChI=1S/C18H22N4O2/c1-18(17(23)19-2)13-22(8-9-24-18)12-14-10-20-16(21-11-14)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,19,23)/t18-/m1/s1
InChIKeyQBRGJOCOHZIRGA-GOSISDBHSA-N
MW326.40 g/mol
LogP1.48
Rot. Bonds4

About (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide

(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide (PubChem CID 95839825) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
PubChem CID95839825
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(C)CN(Cc2cnc(-c3ccccc3)nc2)CCO1
InChIInChI=1S/C18H22N4O2/c1-18(17(23)19-2)13-22(8-9-24-18)12-14-10-20-16(21-11-14)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,19,23)/t18-/m1/s1
InChIKeyQBRGJOCOHZIRGA-GOSISDBHSA-N
XLogP1.48
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[(3-bromophenyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124951417
(2S)-N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632636
N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 110253457
(2S)-4-[(2-methoxynaphthalen-1-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 124961811
1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N,3-dimethylpiperidine-3-carboxamide
CID 110249082
3-[[(2R)-2-carbamoyl-2-methylmorpholin-4-yl]methyl]benzoic acid
CID 124945933
4-[(1-hydroxycyclohexyl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 132775545
2-[4-[(2-carbamoyl-2-methylmorpholin-4-yl)methyl]phenoxy]acetic acid
CID 132948171
(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
3-[[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]methyl]benzoic acid
CID 106318978
N,3-dimethyl-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 110249101
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894

Frequently Asked Questions

What is the IUPAC name of (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide (CID 95839825) is (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide is CNC(=O)[C@@]1(C)CN(Cc2cnc(-c3ccccc3)nc2)CCO1.
What is the InChIKey of (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
The InChIKey is QBRGJOCOHZIRGA-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-18(17(23)19-2)13-22(8-9-24-18)12-14-10-20-16(21-11-14)15-6-4-3-5-7-15/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,19,23)/t18-/m1/s1.
What are the key properties of (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide?
(2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,2-dimethyl-4-[(2-phenylpyrimidin-5-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95839825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).