2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide

C17H22N4O2 — CID 109323755

IUPAC2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C17H22N4O2/c1-11-5-6-14(9-12(11)2)20-17-19-13(3)10-15(21-17)16(22)18-7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeySGIFSGVSTOGAQO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.52
Rot. Bonds6

About 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide

2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109323755) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109323755
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C17H22N4O2/c1-11-5-6-14(9-12(11)2)20-17-19-13(3)10-15(21-17)16(22)18-7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,18,22)(H,19,20,21)
InChIKeySGIFSGVSTOGAQO-UHFFFAOYSA-N
XLogP2.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122
N-(2-methoxyethyl)-6-methyl-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109323797
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
2-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331159
N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109324113
2-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323716

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide (CID 109323755) is 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(C)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is SGIFSGVSTOGAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-5-6-14(9-12(11)2)20-17-19-13(3)10-15(21-17)16(22)18-7-8-23-4/h5-6,9-10H,7-8H2,1-4H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide?
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109323755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).