4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one

C10H15N3O2 — CID 114586569

IUPAC4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-12-9(14)5-10(13-6)15-8-3-2-7(11)4-8/h5,7-8H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyDBEGCZOWZCNVNF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.34
Rot. Bonds2

About 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one

4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 114586569) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one
PubChem CID114586569
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCC(N)C2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O2/c1-6-12-9(14)5-10(13-6)15-8-3-2-7(11)4-8/h5,7-8H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyDBEGCZOWZCNVNF-UHFFFAOYSA-N
XLogP0.34
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one (CID 114586569) is 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(OC2CCC(N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DBEGCZOWZCNVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-12-9(14)5-10(13-6)15-8-3-2-7(11)4-8/h5,7-8H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one?
4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminocyclopentyl)oxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114586569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).