4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

C11H18N4O2 — CID 136989825

IUPAC4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCC2N)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-17-9-10(14-6-15-11(9)16)13-5-7-3-2-4-8(7)12/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyBCAMEBISJBQVOK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.32
Rot. Bonds4

About 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136989825) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136989825
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NCC2CCCC2N)nc[nH]c1=O
InChIInChI=1S/C11H18N4O2/c1-17-9-10(14-6-15-11(9)16)13-5-7-3-2-4-8(7)12/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyBCAMEBISJBQVOK-UHFFFAOYSA-N
XLogP0.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-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-methoxy-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975922
5-methoxy-4-[(1-methylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136975085
4-(2-cyclopentyloxyethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 137016441
5-methoxy-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974398
5-methoxy-4-[2-(3-methylcyclohexyl)ethylamino]-1H-pyrimidin-6-one
CID 136975876
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136989486
4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-1H-pyrimidin-6-one
CID 114586524
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
5-methoxy-4-[(2-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976940
4-(2,2-dimethylbutylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136768849
4-[(2-amino-2-ethylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136978906
4-[[1-(dimethylamino)cyclopentyl]methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136976700

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136989825) is 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NCC2CCCC2N)nc[nH]c1=O.
What is the InChIKey of 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BCAMEBISJBQVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-9-10(14-6-15-11(9)16)13-5-7-3-2-4-8(7)12/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136989825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).