8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

C14H22N4O2 — CID 115973508

IUPAC8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCCOc1cc(C)nc(NC2C(N)C3CCCOC32)n1
InChIInChI=1S/C14H22N4O2/c1-3-19-10-7-8(2)16-14(17-10)18-12-11(15)9-5-4-6-20-13(9)12/h7,9,11-13H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyZPIVMJRTQGSQTO-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.10
Rot. Bonds4

About 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine

8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 115973508) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID115973508
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCCOc1cc(C)nc(NC2C(N)C3CCCOC32)n1
InChIInChI=1S/C14H22N4O2/c1-3-19-10-7-8(2)16-14(17-10)18-12-11(15)9-5-4-6-20-13(9)12/h7,9,11-13H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyZPIVMJRTQGSQTO-UHFFFAOYSA-N
XLogP1.10
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine with MolForge

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Related Compounds

7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 115973506
N-cyclopropyl-4-ethoxy-6-methylpyrimidin-2-amine
CID 94830490
8-N-(5-methoxy-2-methyl-4-pyridinyl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 106660889
1-N-(4-ethoxy-6-methylpyrimidin-2-yl)cyclopropane-1,2-diamine
CID 112634745
8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211179
4-ethoxy-N-(2-ethylcyclohexyl)-6-methylpyrimidin-2-amine
CID 112637169
8-N-(4-ethyl-1,3-thiazol-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66212532
7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66195571
7-N-(2,6-dimethylpyrimidin-4-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66210541
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112637279
8-N-(3-methylquinolin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
CID 66211754
4-ethoxy-N-(3-ethyl-2-methylcyclopentyl)-6-methylpyrimidin-2-amine
CID 112637959

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 115973508) is 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is CCOc1cc(C)nc(NC2C(N)C3CCCOC32)n1.
What is the InChIKey of 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is ZPIVMJRTQGSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-19-10-7-8(2)16-14(17-10)18-12-11(15)9-5-4-6-20-13(9)12/h7,9,11-13H,3-6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 115973508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).