N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

C23H33N5O2 — CID 90163606

IUPACN-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCNC(=O)CCCCCCN(C)C(=O)c1cnc(Nc2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C23H33N5O2/c1-16-12-17(2)21(18(3)13-16)27-23-25-14-19(15-26-23)22(30)28(5)11-9-7-6-8-10-20(29)24-4/h12-15H,6-11H2,1-5H3,(H,24,29)(H,25,26,27)
InChIKeyBDFFMSJARUHPLO-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.91
Rot. Bonds10

About N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (PubChem CID 90163606) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
PubChem CID90163606
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCNC(=O)CCCCCCN(C)C(=O)c1cnc(Nc2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C23H33N5O2/c1-16-12-17(2)21(18(3)13-16)27-23-25-14-19(15-26-23)22(30)28(5)11-9-7-6-8-10-20(29)24-4/h12-15H,6-11H2,1-5H3,(H,24,29)(H,25,26,27)
InChIKeyBDFFMSJARUHPLO-UHFFFAOYSA-N
XLogP3.91
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.91
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

N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109263658
2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262388
2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide
CID 72868931
N-methyl-N-[7-(methylamino)-7-oxoheptyl]-4-(N-phenylanilino)benzamide
CID 90163549
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263948
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
6-(dimethylamino)-N-methylhexanamide
CID 58019688
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (CID 90163606) is N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is CNC(=O)CCCCCCN(C)C(=O)c1cnc(Nc2c(C)cc(C)cc2C)nc1.
What is the InChIKey of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is BDFFMSJARUHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-16-12-17(2)21(18(3)13-16)27-23-25-14-19(15-26-23)22(30)28(5)11-9-7-6-8-10-20(29)24-4/h12-15H,6-11H2,1-5H3,(H,24,29)(H,25,26,27).
What are the key properties of N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 90163606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).