ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate

C17H20N4O3 — CID 10914427

IUPACethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)nc1-c1ccc(N(CC)C(C)=O)cc1
InChIInChI=1S/C17H20N4O3/c1-4-21(11(3)22)13-8-6-12(7-9-13)15-14(16(23)24-5-2)10-19-17(18)20-15/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyVJMOMCXPRXQADD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate

ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate (PubChem CID 10914427) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate
PubChem CID10914427
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)nc1-c1ccc(N(CC)C(C)=O)cc1
InChIInChI=1S/C17H20N4O3/c1-4-21(11(3)22)13-8-6-12(7-9-13)15-14(16(23)24-5-2)10-19-17(18)20-15/h6-10H,4-5H2,1-3H3,(H2,18,19,20)
InChIKeyVJMOMCXPRXQADD-UHFFFAOYSA-N
XLogP2.28
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate (CID 10914427) is ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate is CCOC(=O)c1cnc(N)nc1-c1ccc(N(CC)C(C)=O)cc1.
What is the InChIKey of ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate?
The InChIKey is VJMOMCXPRXQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-21(11(3)22)13-8-6-12(7-9-13)15-14(16(23)24-5-2)10-19-17(18)20-15/h6-10H,4-5H2,1-3H3,(H2,18,19,20).
What are the key properties of ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate?
ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[acetyl(ethyl)amino]phenyl]-2-aminopyrimidine-5-carboxylate is sourced from PubChem (CID 10914427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).