5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one

C12H21N5O — CID 136869158

IUPAC5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2N)C(CN)C1
InChIInChI=1S/C12H21N5O/c1-2-8-3-4-17(9(5-8)6-13)11-10(14)12(18)16-7-15-11/h7-9H,2-6,13-14H2,1H3,(H,15,16,18)
InChIKeyWJORUCAVDYRHRQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.31
Rot. Bonds3

About 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136869158) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136869158
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2N)C(CN)C1
InChIInChI=1S/C12H21N5O/c1-2-8-3-4-17(9(5-8)6-13)11-10(14)12(18)16-7-15-11/h7-9H,2-6,13-14H2,1H3,(H,15,16,18)
InChIKeyWJORUCAVDYRHRQ-UHFFFAOYSA-N
XLogP0.31
TPSA101.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-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

5-amino-4-[2-(aminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978978
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
5-amino-4-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136978294
5-amino-4-[2-(ethylaminomethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137007904
5-amino-4-[3-(aminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136972878
4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136977760
5-amino-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978310
[4-ethyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 103353715
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103353691
5-bromo-4-(2-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136970376
[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine
CID 107875205
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one (CID 136869158) is 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one is CCC1CCN(c2nc[nH]c(=O)c2N)C(CN)C1.
What is the InChIKey of 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is WJORUCAVDYRHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-8-3-4-17(9(5-8)6-13)11-10(14)12(18)16-7-15-11/h7-9H,2-6,13-14H2,1H3,(H,15,16,18).
What are the key properties of 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136869158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).