4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

C13H20N4O — CID 136972875

IUPAC4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H20N4O/c14-7-9-2-1-5-17(8-9)11-6-12(18)16-13(15-11)10-3-4-10/h6,9-10H,1-5,7-8,14H2,(H,15,16,18)
InChIKeyLGOGKFKDTQPTAX-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.82
Rot. Bonds3

About 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136972875) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136972875
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESNCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C13H20N4O/c14-7-9-2-1-5-17(8-9)11-6-12(18)16-13(15-11)10-3-4-10/h6,9-10H,1-5,7-8,14H2,(H,15,16,18)
InChIKeyLGOGKFKDTQPTAX-UHFFFAOYSA-N
XLogP0.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(aminomethyl)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

2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-cyclopropyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009790
2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009796
4-hydroxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63554635
2-piperidin-3-yl-1H-pyrimidin-6-one
CID 63362649
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
4-amino-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136077640
4-amino-5-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136077676
4-amino-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136077747
4-(dimethylamino)-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 136314513
2-(2-aminoethyl)-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136314516

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136972875) is 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is NCC1CCCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is LGOGKFKDTQPTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-7-9-2-1-5-17(8-9)11-6-12(18)16-13(15-11)10-3-4-10/h6,9-10H,1-5,7-8,14H2,(H,15,16,18).
What are the key properties of 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).