2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one

C7H11N3O3 — CID 135435285

IUPAC2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one
SMILESCOC(OC)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C7H11N3O3/c1-12-6(13-2)4-3-5(11)10-7(8)9-4/h3,6H,1-2H3,(H3,8,9,10,11)
InChIKeyKJADRNZOBUDSOK-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.36
Rot. Bonds3

About 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one

2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135435285) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one
PubChem CID135435285
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one
SMILESCOC(OC)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C7H11N3O3/c1-12-6(13-2)4-3-5(11)10-7(8)9-4/h3,6H,1-2H3,(H3,8,9,10,11)
InChIKeyKJADRNZOBUDSOK-UHFFFAOYSA-N
XLogP-0.36
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-4-(dimethoxymethyl)-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 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one (CID 135435285) is 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one is COC(OC)c1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is KJADRNZOBUDSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-12-6(13-2)4-3-5(11)10-7(8)9-4/h3,6H,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one?
2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 185.18 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dimethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135435285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).