2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide

C18H22N4O2 — CID 131930694

IUPAC2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2CN2CCOCC2)nc(C)n1
InChIInChI=1S/C18H22N4O2/c1-13-11-17(20-14(2)19-13)18(23)21-16-6-4-3-5-15(16)12-22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyDQLRONULYDECII-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.18
Rot. Bonds4

About 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide

2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 131930694) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID131930694
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2CN2CCOCC2)nc(C)n1
InChIInChI=1S/C18H22N4O2/c1-13-11-17(20-14(2)19-13)18(23)21-16-6-4-3-5-15(16)12-22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyDQLRONULYDECII-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325246
3,5-dichloro-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55898935
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
CID 46968974
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
6-chloro-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 75538748
1-ethyl-4,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]-2-oxopyridine-3-carboxamide
CID 131905733
2-(2-aminoethyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120644858
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
4-[[2-(morpholin-4-ylmethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 166295875

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide (CID 131930694) is 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2CN2CCOCC2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is DQLRONULYDECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-11-17(20-14(2)19-13)18(23)21-16-6-4-3-5-15(16)12-22-7-9-24-10-8-22/h3-6,11H,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 131930694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).