2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide

C19H26N4O2 — CID 109308686

IUPAC2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C19H26N4O2/c1-3-4-5-11-20-18(24)17-10-13-22-19(23-17)21-12-9-15-7-6-8-16(14-15)25-2/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyCTEXHQRYIQVFBL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.06
Rot. Bonds10

About 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide

2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide (PubChem CID 109308686) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
PubChem CID109308686
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(NCCc2cccc(OC)c2)n1
InChIInChI=1S/C19H26N4O2/c1-3-4-5-11-20-18(24)17-10-13-22-19(23-17)21-12-9-15-7-6-8-16(14-15)25-2/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyCTEXHQRYIQVFBL-UHFFFAOYSA-N
XLogP3.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.06
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

2-[2-(4-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308814
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
N,N-diethyl-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308681
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
2-(3,5-dimethoxyanilino)-N-hexylpyrimidine-4-carboxamide
CID 143493343
2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107854625
2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109308678
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-[2-(3-chlorophenyl)ethyl]-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109313154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide (CID 109308686) is 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1ccnc(NCCc2cccc(OC)c2)n1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The InChIKey is CTEXHQRYIQVFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-4-5-11-20-18(24)17-10-13-22-19(23-17)21-12-9-15-7-6-8-16(14-15)25-2/h6-8,10,13-14H,3-5,9,11-12H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109308686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).