2-(4,6-diaminopyrimidin-5-yl)ethyl formate

C7H10N4O2 — CID 174932996

IUPAC2-(4,6-diaminopyrimidin-5-yl)ethyl formate
SMILESNc1ncnc(N)c1CCOC=O
InChIInChI=1S/C7H10N4O2/c8-6-5(1-2-13-4-12)7(9)11-3-10-6/h3-4H,1-2H2,(H4,8,9,10,11)
InChIKeyGPRQFNGMEMAKQX-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.64
Rot. Bonds4

About 2-(4,6-diaminopyrimidin-5-yl)ethyl formate

2-(4,6-diaminopyrimidin-5-yl)ethyl formate (PubChem CID 174932996) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-5-yl)ethyl formate.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-5-yl)ethyl formate
PubChem CID174932996
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(4,6-diaminopyrimidin-5-yl)ethyl formate
SMILESNc1ncnc(N)c1CCOC=O
InChIInChI=1S/C7H10N4O2/c8-6-5(1-2-13-4-12)7(9)11-3-10-6/h3-4H,1-2H2,(H4,8,9,10,11)
InChIKeyGPRQFNGMEMAKQX-UHFFFAOYSA-N
XLogP-0.64
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-5-yl)ethyl formate?
The IUPAC name of 2-(4,6-diaminopyrimidin-5-yl)ethyl formate (CID 174932996) is 2-(4,6-diaminopyrimidin-5-yl)ethyl formate.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-5-yl)ethyl formate?
The canonical SMILES for 2-(4,6-diaminopyrimidin-5-yl)ethyl formate is Nc1ncnc(N)c1CCOC=O.
What is the InChIKey of 2-(4,6-diaminopyrimidin-5-yl)ethyl formate?
The InChIKey is GPRQFNGMEMAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-6-5(1-2-13-4-12)7(9)11-3-10-6/h3-4H,1-2H2,(H4,8,9,10,11).
What are the key properties of 2-(4,6-diaminopyrimidin-5-yl)ethyl formate?
2-(4,6-diaminopyrimidin-5-yl)ethyl formate has a molecular weight of 182.18 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-5-yl)ethyl formate is sourced from PubChem (CID 174932996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).