4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

C14H22N4O2 — CID 137008671

IUPAC4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCOC1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H22N4O2/c15-5-8-20-11-3-6-18(7-4-11)12-9-13(19)17-14(16-12)10-1-2-10/h9-11H,1-8,15H2,(H,16,17,19)
InChIKeyKAJNEOXXBPKNKQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.59
Rot. Bonds5

About 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 137008671) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID137008671
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCCOC1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H22N4O2/c15-5-8-20-11-3-6-18(7-4-11)12-9-13(19)17-14(16-12)10-1-2-10/h9-11H,1-8,15H2,(H,16,17,19)
InChIKeyKAJNEOXXBPKNKQ-UHFFFAOYSA-N
XLogP0.59
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972628
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
4-[4-(3-aminopropoxy)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978749
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972855
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
methyl 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylate
CID 137007527
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 137008671) is 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is NCCOC1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is KAJNEOXXBPKNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-5-8-20-11-3-6-18(7-4-11)12-9-13(19)17-14(16-12)10-1-2-10/h9-11H,1-8,15H2,(H,16,17,19).
What are the key properties of 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 278.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).