N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

C18H23N5O2 — CID 109263811

IUPACN-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C18H23N5O2/c1-3-4-5-10-19-18-20-11-14(12-21-18)17(25)23-16-8-6-15(7-9-16)22-13(2)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,24)(H,23,25)(H,19,20,21)
InChIKeySKQADYGTJGBNRS-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.29
Rot. Bonds8

About N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide

N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (PubChem CID 109263811) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
PubChem CID109263811
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
SMILESCCCCCNc1ncc(C(=O)Nc2ccc(NC(C)=O)cc2)cn1
InChIInChI=1S/C18H23N5O2/c1-3-4-5-10-19-18-20-11-14(12-21-18)17(25)23-16-8-6-15(7-9-16)22-13(2)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,24)(H,23,25)(H,19,20,21)
InChIKeySKQADYGTJGBNRS-UHFFFAOYSA-N
XLogP3.29
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792
2-(butylamino)-N-[4-(diethylamino)phenyl]pyrimidine-5-carboxamide
CID 109248388
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
N-(3-chlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263782
N-(4-fluorophenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246780
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
methyl 3-[[2-(pentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109263813
2-(butylamino)-N-(3,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109248417
N-(4-propan-2-ylphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246773

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide (CID 109263811) is N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide is CCCCCNc1ncc(C(=O)Nc2ccc(NC(C)=O)cc2)cn1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
The InChIKey is SKQADYGTJGBNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-4-5-10-19-18-20-11-14(12-21-18)17(25)23-16-8-6-15(7-9-16)22-13(2)24/h6-9,11-12H,3-5,10H2,1-2H3,(H,22,24)(H,23,25)(H,19,20,21).
What are the key properties of N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(pentylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).