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

C11H17N3O2 — CID 104612126

IUPAC5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(CN)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H17N3O2/c1-16-11(4-2-3-5-11)10-13-7-8(6-12)9(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyIRSVZDYGMRKGTH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.64
Rot. Bonds3

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

5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 104612126) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID104612126
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2ncc(CN)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H17N3O2/c1-16-11(4-2-3-5-11)10-13-7-8(6-12)9(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyIRSVZDYGMRKGTH-UHFFFAOYSA-N
XLogP0.64
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2-(1-methoxycyclopentyl)-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
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
5-bromo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609933
5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609934
2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 104612125
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

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 104612126) is 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2ncc(CN)c(=O)[nH]2)CCCC1.
What is the InChIKey of 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is IRSVZDYGMRKGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11(4-2-3-5-11)10-13-7-8(6-12)9(15)14-10/h7H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104612126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).