5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one

C9H13N3O2 — CID 103240522

IUPAC5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyKWXQLYOGMQFQAQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.67
Rot. Bonds2

About 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one

5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one (PubChem CID 103240522) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
PubChem CID103240522
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCCC2)nc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,12,13)
InChIKeyKWXQLYOGMQFQAQ-UHFFFAOYSA-N
XLogP0.67
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240411
5-amino-4-heptoxy-1H-pyrimidin-6-one
CID 103240420
5-amino-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240470
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240528
5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
CID 103240692
5-amino-4-(2-propan-2-yloxyethoxy)-1H-pyrimidin-6-one
CID 103240699
5-amino-4-(oxolan-2-ylmethoxy)-1H-pyrimidin-6-one
CID 103240713

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one (CID 103240522) is 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one is Nc1c(OC2CCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one?
The InChIKey is KWXQLYOGMQFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-7-8(13)11-5-12-9(7)14-6-3-1-2-4-6/h5-6H,1-4,10H2,(H,11,12,13).
What are the key properties of 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one?
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one has a molecular weight of 195.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).