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

C11H17N3O2 — CID 103241365

IUPAC5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c12-9-10(15)13-7-14-11(9)16-8-5-3-1-2-4-6-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyWZOZCHMMILQWDA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.45
Rot. Bonds2

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

5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one (PubChem CID 103241365) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one
PubChem CID103241365
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one
SMILESNc1c(OC2CCCCCC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c12-9-10(15)13-7-14-11(9)16-8-5-3-1-2-4-6-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyWZOZCHMMILQWDA-UHFFFAOYSA-N
XLogP1.45
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one (CID 103241365) is 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one is Nc1c(OC2CCCCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one?
The InChIKey is WZOZCHMMILQWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-9-10(15)13-7-14-11(9)16-8-5-3-1-2-4-6-8/h7-8H,1-6,12H2,(H,13,14,15).
What are the key properties of 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one?
5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).