2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide

C18H24N4O — CID 109263653

IUPAC2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2ccc(CC)cc2)nc1
InChIInChI=1S/C18H24N4O/c1-3-5-6-11-19-17(23)15-12-20-18(21-13-15)22-16-9-7-14(4-2)8-10-16/h7-10,12-13H,3-6,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeySRIKROAXUGSPLC-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.70
Rot. Bonds8

About 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide

2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide (PubChem CID 109263653) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
PubChem CID109263653
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2ccc(CC)cc2)nc1
InChIInChI=1S/C18H24N4O/c1-3-5-6-11-19-17(23)15-12-20-18(21-13-15)22-16-9-7-14(4-2)8-10-16/h7-10,12-13H,3-6,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeySRIKROAXUGSPLC-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.70
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

2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-(3-chloro-4-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263674
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
2-(4-ethylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109258580
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
CID 109246599
N-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109248164
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109263658
methyl 4-[[5-(3-phenylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109262651
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide (CID 109263653) is 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide is CCCCCNC(=O)c1cnc(Nc2ccc(CC)cc2)nc1.
What is the InChIKey of 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide?
The InChIKey is SRIKROAXUGSPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-5-6-11-19-17(23)15-12-20-18(21-13-15)22-16-9-7-14(4-2)8-10-16/h7-10,12-13H,3-6,11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide?
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).