6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

C18H23N5O2 — CID 136539683

IUPAC6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2ccc(N3CCOCC3)cc2C)n1
InChIInChI=1S/C18H23N5O2/c1-12-10-14(23-6-8-25-9-7-23)4-5-15(12)21-17(24)16-11-13(2)20-18(19-3)22-16/h4-5,10-11H,6-9H2,1-3H3,(H,21,24)(H,19,20,22)
InChIKeyKDRGVFNMBLPMER-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.22
Rot. Bonds4

About 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide

6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 136539683) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
PubChem CID136539683
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
SMILESCNc1nc(C)cc(C(=O)Nc2ccc(N3CCOCC3)cc2C)n1
InChIInChI=1S/C18H23N5O2/c1-12-10-14(23-6-8-25-9-7-23)4-5-15(12)21-17(24)16-11-13(2)20-18(19-3)22-16/h4-5,10-11H,6-9H2,1-3H3,(H,21,24)(H,19,20,22)
InChIKeyKDRGVFNMBLPMER-UHFFFAOYSA-N
XLogP2.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 154773651
4-bromo-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 55620636
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
6-methyl-N-(2-morpholin-4-ylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109319018
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
4-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78861814
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632664
5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 78866464
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
N-(2,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324340
3-[(2-methyl-4-morpholin-4-ylphenyl)carbamoyl]-4-phenylbenzoic acid
CID 90893627

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide (CID 136539683) is 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is CNc1nc(C)cc(C(=O)Nc2ccc(N3CCOCC3)cc2C)n1.
What is the InChIKey of 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KDRGVFNMBLPMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-10-14(23-6-8-25-9-7-23)4-5-15(12)21-17(24)16-11-13(2)20-18(19-3)22-16/h4-5,10-11H,6-9H2,1-3H3,(H,21,24)(H,19,20,22).
What are the key properties of 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide?
6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 136539683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).