2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide

C19H26N4O3 — CID 143493343

IUPAC2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide
SMILESCCCCCCNC(=O)c1ccnc(Nc2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C19H26N4O3/c1-4-5-6-7-9-20-18(24)17-8-10-21-19(23-17)22-14-11-15(25-2)13-16(12-14)26-3/h8,10-13H,4-7,9H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyXJTRCNWEJOVSDH-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.55
Rot. Bonds10

About 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide

2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide (PubChem CID 143493343) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide
PubChem CID143493343
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide
SMILESCCCCCCNC(=O)c1ccnc(Nc2cc(OC)cc(OC)c2)n1
InChIInChI=1S/C19H26N4O3/c1-4-5-6-7-9-20-18(24)17-8-10-21-19(23-17)22-14-11-15(25-2)13-16(12-14)26-3/h8,10-13H,4-7,9H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyXJTRCNWEJOVSDH-UHFFFAOYSA-N
XLogP3.55
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
2-(4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312095
2-(3,4-dichloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312180
2-(4-chloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312120
2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308686
2-[2-(4-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308814
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
2-(4-chloro-2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312123
2-(2-bromo-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312167
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109311143
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide (CID 143493343) is 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide is CCCCCCNC(=O)c1ccnc(Nc2cc(OC)cc(OC)c2)n1.
What is the InChIKey of 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide?
The InChIKey is XJTRCNWEJOVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-5-6-7-9-20-18(24)17-8-10-21-19(23-17)22-14-11-15(25-2)13-16(12-14)26-3/h8,10-13H,4-7,9H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide?
2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide is sourced from PubChem (CID 143493343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).