N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

C19H26N4O — CID 109263658

IUPACN-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C19H26N4O/c1-5-6-7-8-20-18(24)16-11-21-19(22-12-16)23-17-14(3)9-13(2)10-15(17)4/h9-12H,5-8H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyXXRVWPCKDOLEFB-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.07
Rot. Bonds7

About N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109263658) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
PubChem CID109263658
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2c(C)cc(C)cc2C)nc1
InChIInChI=1S/C19H26N4O/c1-5-6-7-8-20-18(24)16-11-21-19(22-12-16)23-17-14(3)9-13(2)10-15(17)4/h9-12H,5-8H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyXXRVWPCKDOLEFB-UHFFFAOYSA-N
XLogP4.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263439
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263653
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
ethene;N-heptyl-2-methylpyrimidine-5-carboxamide;molecular hydrogen
CID 144515256
2-(3-chloro-4-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263674
2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263675
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
N-butyl-3,5-dimethylbenzamide
CID 17190927

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (CID 109263658) is N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is CCCCCNC(=O)c1cnc(Nc2c(C)cc(C)cc2C)nc1.
What is the InChIKey of N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is XXRVWPCKDOLEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-6-7-8-20-18(24)16-11-21-19(22-12-16)23-17-14(3)9-13(2)10-15(17)4/h9-12H,5-8H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).