4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136746820

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC2CO)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(12-6-13-11(9)16)14-8-4-2-3-7(8)5-15/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyXFFYBLIVOAXPRC-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.35
Rot. Bonds4

About 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one

4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136746820) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136746820
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCCC2CO)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-17-9-10(12-6-13-11(9)16)14-8-4-2-3-7(8)5-15/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyXFFYBLIVOAXPRC-UHFFFAOYSA-N
XLogP0.35
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
4-[2-(2-hydroxyethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704103
4-[[2-(hydroxymethyl)cyclohexyl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136746831
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136758190
4-[(3-ethyl-2-hydroxypentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136817764
4-[(4-hydroxycyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136823136
4-[(1-hydroxy-4-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847964
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136847972
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136849670
4-(6-hydroxyhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136866830
4-[(5-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901127
4-[(3-hydroxycyclopentyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136902394

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one (CID 136746820) is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CCCC2CO)nc[nH]c1=O.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XFFYBLIVOAXPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-9-10(12-6-13-11(9)16)14-8-4-2-3-7(8)5-15/h6-8,15H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one?
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136746820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).