5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one

C8H13N3O3 — CID 103241634

IUPAC5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O3/c1-5(3-13-2)14-8-6(9)7(12)10-4-11-8/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyZJEFFVNICBENFI-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.23
Rot. Bonds4

About 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one

5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241634) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103241634
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOCC(C)Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N3O3/c1-5(3-13-2)14-8-6(9)7(12)10-4-11-8/h4-5H,3,9H2,1-2H3,(H,10,11,12)
InChIKeyZJEFFVNICBENFI-UHFFFAOYSA-N
XLogP-0.23
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one (CID 103241634) is 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one is COCC(C)Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is ZJEFFVNICBENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(3-13-2)14-8-6(9)7(12)10-4-11-8/h4-5H,3,9H2,1-2H3,(H,10,11,12).
What are the key properties of 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one?
5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 199.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-methoxypropan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).