4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one

C10H15N3O3 — CID 114586592

IUPAC4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCCC2N)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-5-13-10(8)16-7-4-2-3-6(7)11/h5-7H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyUSXSFOXQMFXWLY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.04
Rot. Bonds3

About 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one

4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 114586592) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID114586592
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCCC2N)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-5-13-10(8)16-7-4-2-3-6(7)11/h5-7H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyUSXSFOXQMFXWLY-UHFFFAOYSA-N
XLogP0.04
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 91021757
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
4-cyclopentyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240525
4-(4-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604877
4-(2-aminocycloheptyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604901
5-methoxy-4-(pyrrolidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586291
4-(3-aminocyclobutyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586548
4-(3-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586566
4-(3-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586575
4-(2-aminocyclopentyl)oxy-5-chloro-1H-pyrimidin-6-one
CID 114586588
4-(2-aminocyclopentyl)oxy-1H-pyrimidin-6-one
CID 114586589
4-(2-aminocyclopentyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586593

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one (CID 114586592) is 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one is COc1c(OC2CCCC2N)nc[nH]c1=O.
What is the InChIKey of 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is USXSFOXQMFXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-8-9(14)12-5-13-10(8)16-7-4-2-3-6(7)11/h5-7H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one?
4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopentyl)oxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).