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

C18H24N4O2 — CID 109324105

IUPAC2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H24N4O2/c1-12-7-5-8-13(2)16(12)22-18-20-14(3)11-15(21-18)17(23)19-9-6-10-24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyIGSMXRABRCUAQQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.91
Rot. Bonds7

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

2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109324105) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109324105
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H24N4O2/c1-12-7-5-8-13(2)16(12)22-18-20-14(3)11-15(21-18)17(23)19-9-6-10-24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyIGSMXRABRCUAQQ-UHFFFAOYSA-N
XLogP2.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.91
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

2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324110
N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109324113
2-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147
2-(2-bromoanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324165
methyl 2-[[4-(3-methoxypropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109324151
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112
2-(2,6-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329340
2-(2,4-difluoroanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324175
N-(3-methoxypropyl)-6-methyl-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109324146
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide (CID 109324105) is 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C)nc(Nc2c(C)cccc2C)n1.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is IGSMXRABRCUAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-7-5-8-13(2)16(12)22-18-20-14(3)11-15(21-18)17(23)19-9-6-10-24-4/h5,7-8,11H,6,9-10H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide?
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).