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

C11H18N4O — CID 136794221

IUPAC4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C)(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-9(5-10(16)14-8)15-4-3-11(2,6-12)7-15/h5H,3-4,6-7,12H2,1-2H3,(H,13,14,16)
InChIKeyUGTXMQGKBZLSHR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.25
Rot. Bonds2

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

4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136794221) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136794221
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC(C)(CN)C2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-8-13-9(5-10(16)14-8)15-4-3-11(2,6-12)7-15/h5H,3-4,6-7,12H2,1-2H3,(H,13,14,16)
InChIKeyUGTXMQGKBZLSHR-UHFFFAOYSA-N
XLogP0.25
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-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-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137015803
4-(3-amino-3-cyclopropylazetidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 137008576
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
4-[4-(5-aminopentyl)piperazin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136972676
2-methyl-4-(4-propylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957344
2-[4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]ethanethioamide
CID 136973219
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842971
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1H-pyrimidin-6-one
CID 136957952
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207
4-(2,2-dimethylpiperazin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136978409
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one (CID 136794221) is 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC(C)(CN)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UGTXMQGKBZLSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-13-9(5-10(16)14-8)15-4-3-11(2,6-12)7-15/h5H,3-4,6-7,12H2,1-2H3,(H,13,14,16).
What are the key properties of 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one?
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136794221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).