N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C20H27N5O2 — CID 109325246

IUPACN-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-3-16-6-4-5-7-17(16)23-19(26)18-14-15(2)22-20(24-18)21-8-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyWTCBSYKCDWOGNB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.34
Rot. Bonds7

About N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109325246) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109325246
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-3-16-6-4-5-7-17(16)23-19(26)18-14-15(2)22-20(24-18)21-8-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,23,26)(H,21,22,24)
InChIKeyWTCBSYKCDWOGNB-UHFFFAOYSA-N
XLogP2.34
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-(2-morpholin-4-ylethylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109325286
N-(2,6-difluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325294
N-(3-fluorophenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325283
6-methyl-N-(2-morpholin-4-ylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109319018
N-(4-acetylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325276
6-methyl-2-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319463
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-ethyl-6-methyl-2-(2-morpholin-4-ylethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109325248
N-(2-ethylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229652
N-(2-ethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327829
N-[(4-fluorophenyl)methyl]-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109325200

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109325246) is N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(C)nc(NCCN2CCOCC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is WTCBSYKCDWOGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-16-6-4-5-7-17(16)23-19(26)18-14-15(2)22-20(24-18)21-8-9-25-10-12-27-13-11-25/h4-7,14H,3,8-13H2,1-2H3,(H,23,26)(H,21,22,24).
What are the key properties of N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).