2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114206201

IUPAC2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-13-7-9-8-14-11(15-10(9)16)12(17-2)5-3-4-6-12/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZCRRIAJRXXEPAH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds4

About 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 114206201) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID114206201
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-13-7-9-8-14-11(15-10(9)16)12(17-2)5-3-4-6-12/h8,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyZCRRIAJRXXEPAH-UHFFFAOYSA-N
XLogP0.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-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-(aminomethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 104189929
5-(aminomethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 104189966
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609934
2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104612125
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126
2-(1-ethoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563472
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
5-(aminomethyl)-2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 113563477
5-(aminomethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113563478
2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206190
2-(1-ethoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206192

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one (CID 114206201) is 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cnc(C2(OC)CCCC2)[nH]c1=O.
What is the InChIKey of 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is ZCRRIAJRXXEPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-7-9-8-14-11(15-10(9)16)12(17-2)5-3-4-6-12/h8,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114206201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).