N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C19H26N4O2 — CID 109324113

IUPACN-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H26N4O2/c1-12-9-13(2)17(14(3)10-12)23-19-21-15(4)11-16(22-19)18(24)20-7-6-8-25-5/h9-11H,6-8H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyRXWMVIIFOBKRAI-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.22
Rot. Bonds7

About N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109324113) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109324113
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H26N4O2/c1-12-9-13(2)17(14(3)10-12)23-19-21-15(4)11-16(22-19)18(24)20-7-6-8-25-5/h9-11H,6-8H2,1-5H3,(H,20,24)(H,21,22,23)
InChIKeyRXWMVIIFOBKRAI-UHFFFAOYSA-N
XLogP3.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.22
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-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324110
N-(3-methoxypropyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109324112
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
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-(3-acetylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324147
2-(3,4-dimethylanilino)-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 109323755
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
4-N-(2-methoxyethyl)-6-methyl-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112911416

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109324113) is N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C)nc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is RXWMVIIFOBKRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-9-13(2)17(14(3)10-12)23-19-21-15(4)11-16(22-19)18(24)20-7-6-8-25-5/h9-11H,6-8H2,1-5H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109324113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).