5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one

C10H15N3O3 — CID 103240692

IUPAC5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCCCO2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c11-8-9(14)12-6-13-10(8)16-5-7-3-1-2-4-15-7/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyCXDSNQVDXHRRFO-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.30
Rot. Bonds3

About 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one

5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103240692) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID103240692
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESNc1c(OCC2CCCCO2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c11-8-9(14)12-6-13-10(8)16-5-7-3-1-2-4-15-7/h6-7H,1-5,11H2,(H,12,13,14)
InChIKeyCXDSNQVDXHRRFO-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
5-amino-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240411
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430
5-amino-4-hexoxy-1H-pyrimidin-6-one
CID 103240490
5-amino-4-cyclopentyloxy-1H-pyrimidin-6-one
CID 103240522
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
CID 103240696
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
5-amino-4-pentoxy-1H-pyrimidin-6-one
CID 103240842
5-amino-4-cycloheptyloxy-1H-pyrimidin-6-one
CID 103241365
5-amino-4-(oxan-4-yloxy)-1H-pyrimidin-6-one
CID 103241463

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one (CID 103240692) is 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one is Nc1c(OCC2CCCCO2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is CXDSNQVDXHRRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-8-9(14)12-6-13-10(8)16-5-7-3-1-2-4-15-7/h6-7H,1-5,11H2,(H,12,13,14).
What are the key properties of 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).