N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C20H29N5O — CID 109325631

IUPACN-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)NCCCN(C)C)n2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-13-10-14(2)18(15(3)11-13)24-20-22-16(4)12-17(23-20)19(26)21-8-7-9-25(5)6/h10-12H,7-9H2,1-6H3,(H,21,26)(H,22,23,24)
InChIKeyIBCBINBBGMCHCP-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.14
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109325631) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109325631
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nc(C)cc(C(=O)NCCCN(C)C)n2)c(C)c1
InChIInChI=1S/C20H29N5O/c1-13-10-14(2)18(15(3)11-13)24-20-22-16(4)12-17(23-20)19(26)21-8-7-9-25(5)6/h10-12H,7-9H2,1-6H3,(H,21,26)(H,22,23,24)
InChIKeyIBCBINBBGMCHCP-UHFFFAOYSA-N
XLogP3.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.14
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

N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109324113
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
2-[4-(dimethylamino)anilino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325671
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325499
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325183
2-(cyclohexylamino)-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109322624
6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109334224
2-(2,6-dimethylanilino)-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324105
2-N-[3-(dimethylamino)propyl]-6-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109096578
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147
2-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325132
N-[3-(dimethylamino)propyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108944231

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109325631) is N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2nc(C)cc(C(=O)NCCCN(C)C)n2)c(C)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is IBCBINBBGMCHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-13-10-14(2)18(15(3)11-13)24-20-22-16(4)12-17(23-20)19(26)21-8-7-9-25(5)6/h10-12H,7-9H2,1-6H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).