N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide

C17H22N4O — CID 109263756

IUPACN-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-7-10-18-17-19-11-14(12-20-17)16(22)21-15-9-6-5-8-13(15)2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyZKIXELCNYUBWMF-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.64
Rot. Bonds7

About N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide

N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide (PubChem CID 109263756) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
PubChem CID109263756
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2ccccc2C)cn1
InChIInChI=1S/C17H22N4O/c1-3-4-7-10-18-17-19-11-14(12-20-17)16(22)21-15-9-6-5-8-13(15)2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyZKIXELCNYUBWMF-UHFFFAOYSA-N
XLogP3.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.64
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

N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263811
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
N-(2,5-dimethylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246763
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813
N-(2-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 47778991

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide (CID 109263756) is N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide is CCCCCNc1ncc(C(=O)Nc2ccccc2C)cn1.
What is the InChIKey of N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The InChIKey is ZKIXELCNYUBWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-7-10-18-17-19-11-14(12-20-17)16(22)21-15-9-6-5-8-13(15)2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).