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

C9H15N3O3 — CID 135399401

IUPAC2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOC(OCC)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H15N3O3/c1-3-14-8(15-4-2)6-5-7(13)12-9(10)11-6/h5,8H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyWTKUYFGMUPEUJQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.42
Rot. Bonds5

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

2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135399401) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one
PubChem CID135399401
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOC(OCC)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H15N3O3/c1-3-14-8(15-4-2)6-5-7(13)12-9(10)11-6/h5,8H,3-4H2,1-2H3,(H3,10,11,12,13)
InChIKeyWTKUYFGMUPEUJQ-UHFFFAOYSA-N
XLogP0.42
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one (CID 135399401) is 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one is CCOC(OCC)c1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is WTKUYFGMUPEUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-14-8(15-4-2)6-5-7(13)12-9(10)11-6/h5,8H,3-4H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one?
2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(diethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135399401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).