2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide

C16H20N4O2 — CID 109246599

IUPAC2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(OCC)cc2)nc1
InChIInChI=1S/C16H20N4O2/c1-3-9-17-15(21)12-10-18-16(19-11-12)20-13-5-7-14(8-6-13)22-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyKYTGGYMIDDPYDB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.76
Rot. Bonds7

About 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide

2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide (PubChem CID 109246599) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
PubChem CID109246599
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(Nc2ccc(OCC)cc2)nc1
InChIInChI=1S/C16H20N4O2/c1-3-9-17-15(21)12-10-18-16(19-11-12)20-13-5-7-14(8-6-13)22-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyKYTGGYMIDDPYDB-UHFFFAOYSA-N
XLogP2.76
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109252791
2-(4-propan-2-ylanilino)-N-propylpyrimidine-5-carboxamide
CID 109246574
2-(4-ethylanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263653
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269080
N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109251815
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251441
2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109269044
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109262764
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide (CID 109246599) is 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(Nc2ccc(OCC)cc2)nc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide?
The InChIKey is KYTGGYMIDDPYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-9-17-15(21)12-10-18-16(19-11-12)20-13-5-7-14(8-6-13)22-4-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide?
2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).