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

C10H16N4O — CID 136880708

IUPAC4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]cn2)C1CN
InChIInChI=1S/C10H16N4O/c1-7-2-3-14(8(7)5-11)9-4-10(15)13-6-12-9/h4,6-8H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyJQEZVAJFEMPEJE-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.06
Rot. Bonds2

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

4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136880708) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136880708
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1CCN(c2cc(=O)[nH]cn2)C1CN
InChIInChI=1S/C10H16N4O/c1-7-2-3-14(8(7)5-11)9-4-10(15)13-6-12-9/h4,6-8H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyJQEZVAJFEMPEJE-UHFFFAOYSA-N
XLogP-0.06
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(aminomethyl)-3-methylpyrrolidin-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

4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136454963
6-(3,6-Diazabicyclo[3.2.1]octan-6-yl)-3-methylpyrimidin-4-one
CID 139427171
6-Methyl-3-[3-methyl-2-(propylamino)pentyl]pyrimidin-4-one
CID 80446574
6-Methyl-3-[3-methyl-2-(methylamino)pentyl]pyrimidin-4-one
CID 80446600
3-[2-(Ethylamino)-3-methylpentyl]-6-methylpyrimidin-4-one
CID 80446628
3-(2-Amino-3-methylpentyl)pyrimidin-4-one
CID 80446774
3-[3-Methyl-2-(propylamino)pentyl]pyrimidin-4-one
CID 80446799
3-[3-Methyl-2-(methylamino)pentyl]pyrimidin-4-one
CID 80446827
3-[2-(Ethylamino)-3-methylpentyl]pyrimidin-4-one
CID 80446852
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-[(2-amino-1-cyclopentylethyl)amino]-1H-pyrimidin-6-one
CID 136672022

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136880708) is 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is CC1CCN(c2cc(=O)[nH]cn2)C1CN.
What is the InChIKey of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JQEZVAJFEMPEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-2-3-14(8(7)5-11)9-4-10(15)13-6-12-9/h4,6-8H,2-3,5,11H2,1H3,(H,12,13,15).
What are the key properties of 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136880708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).