(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide

C14H22N4O2 — CID 95839658

IUPAC(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
SMILESCc1nccc(CN2CCO[C@](C)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H22N4O2/c1-11-15-6-5-12(16-11)9-18-7-8-20-14(2,10-18)13(19)17(3)4/h5-6H,7-10H2,1-4H3/t14-/m0/s1
InChIKeyYWQDGDLEFJTDIM-AWEZNQCLSA-N
MW278.36 g/mol
LogP0.46
Rot. Bonds3

About (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide

(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide (PubChem CID 95839658) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
PubChem CID95839658
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
SMILESCc1nccc(CN2CCO[C@](C)(C(=O)N(C)C)C2)n1
InChIInChI=1S/C14H22N4O2/c1-11-15-6-5-12(16-11)9-18-7-8-20-14(2,10-18)13(19)17(3)4/h5-6H,7-10H2,1-4H3/t14-/m0/s1
InChIKeyYWQDGDLEFJTDIM-AWEZNQCLSA-N
XLogP0.46
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
N,N,2-trimethyl-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 110268368
3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529613
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
methyl 2-methyl-4-[(6-methylquinolin-2-yl)methyl]morpholine-2-carboxylate
CID 155961048
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide (CID 95839658) is (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide is Cc1nccc(CN2CCO[C@](C)(C(=O)N(C)C)C2)n1.
What is the InChIKey of (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide?
The InChIKey is YWQDGDLEFJTDIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-15-6-5-12(16-11)9-18-7-8-20-14(2,10-18)13(19)17(3)4/h5-6H,7-10H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide?
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95839658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).