6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide

C19H26N4O2 — CID 109351295

IUPAC6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCc2cccc(OC)c2)ncn1
InChIInChI=1S/C19H26N4O2/c1-3-4-5-10-21-19(24)17-13-18(23-14-22-17)20-11-9-15-7-6-8-16(12-15)25-2/h6-8,12-14H,3-5,9-11H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeySRXFTRPOUMLSEC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.06
Rot. Bonds10

About 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide

6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide (PubChem CID 109351295) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
PubChem CID109351295
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCc2cccc(OC)c2)ncn1
InChIInChI=1S/C19H26N4O2/c1-3-4-5-10-21-19(24)17-13-18(23-14-22-17)20-11-9-15-7-6-8-16(12-15)25-2/h6-8,12-14H,3-5,9-11H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeySRXFTRPOUMLSEC-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

6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
6-N-butyl-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855106
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348949
2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308686
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
6-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109351304
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351316

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide (CID 109351295) is 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(NCCc2cccc(OC)c2)ncn1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The InChIKey is SRXFTRPOUMLSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-4-5-10-21-19(24)17-13-18(23-14-22-17)20-11-9-15-7-6-8-16(12-15)25-2/h6-8,12-14H,3-5,9-11H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
6-[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 6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109351295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).