[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid

C10H15N3O4 — CID 118497438

IUPAC[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid
SMILESCCOC(OCC)c1ncc(NC(=O)O)cn1
InChIInChI=1S/C10H15N3O4/c1-3-16-9(17-4-2)8-11-5-7(6-12-8)13-10(14)15/h5-6,9,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyCCIQRGGEQKKNJK-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.64
Rot. Bonds6

About [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid

[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid (PubChem CID 118497438) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid.

Molecular Properties

Compound Name[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid
PubChem CID118497438
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid
SMILESCCOC(OCC)c1ncc(NC(=O)O)cn1
InChIInChI=1S/C10H15N3O4/c1-3-16-9(17-4-2)8-11-5-7(6-12-8)13-10(14)15/h5-6,9,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyCCIQRGGEQKKNJK-UHFFFAOYSA-N
XLogP1.64
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.64
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-(diethoxymethyl)pyrimidin-5-yl]carbamic acid?
The IUPAC name of [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid (CID 118497438) is [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid.
What is the SMILES notation for [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid?
The canonical SMILES for [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid is CCOC(OCC)c1ncc(NC(=O)O)cn1.
What is the InChIKey of [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid?
The InChIKey is CCIQRGGEQKKNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-16-9(17-4-2)8-11-5-7(6-12-8)13-10(14)15/h5-6,9,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid?
[2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid has a molecular weight of 241.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethoxymethyl)pyrimidin-5-yl]carbamic acid is sourced from PubChem (CID 118497438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).