1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one

C13H18N4O3 — CID 123553219

IUPAC1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one
SMILESCCNc1ncnc(C(=O)N2CCC(=O)CC2)c1OC
InChIInChI=1S/C13H18N4O3/c1-3-14-12-11(20-2)10(15-8-16-12)13(19)17-6-4-9(18)5-7-17/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyJLJNQMKCAROYGP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.72
Rot. Bonds4

About 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one

1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one (PubChem CID 123553219) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one
PubChem CID123553219
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one
SMILESCCNc1ncnc(C(=O)N2CCC(=O)CC2)c1OC
InChIInChI=1S/C13H18N4O3/c1-3-14-12-11(20-2)10(15-8-16-12)13(19)17-6-4-9(18)5-7-17/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyJLJNQMKCAROYGP-UHFFFAOYSA-N
XLogP0.72
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one?
The IUPAC name of 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one (CID 123553219) is 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one is CCNc1ncnc(C(=O)N2CCC(=O)CC2)c1OC.
What is the InChIKey of 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one?
The InChIKey is JLJNQMKCAROYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-14-12-11(20-2)10(15-8-16-12)13(19)17-6-4-9(18)5-7-17/h8H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one?
1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one has a molecular weight of 278.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-5-methoxypyrimidine-4-carbonyl]piperidin-4-one is sourced from PubChem (CID 123553219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).