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

C14H22N4O — CID 66211179

IUPAC8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCCc1cc(NC2C(N)C3CCCOC32)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-3-9-7-11(17-8(2)16-9)18-13-12(15)10-5-4-6-19-14(10)13/h7,10,12-14H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyZGSKQDPIQBDDQV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.26
Rot. Bonds3

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

8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (PubChem CID 66211179) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.

Molecular Properties

Compound Name8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
PubChem CID66211179
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine
SMILESCCc1cc(NC2C(N)C3CCCOC32)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-3-9-7-11(17-8(2)16-9)18-13-12(15)10-5-4-6-19-14(10)13/h7,10,12-14H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyZGSKQDPIQBDDQV-UHFFFAOYSA-N
XLogP1.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The IUPAC name of 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine (CID 66211179) is 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine.
What is the SMILES notation for 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The canonical SMILES for 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is CCc1cc(NC2C(N)C3CCCOC32)nc(C)n1.
What is the InChIKey of 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
The InChIKey is ZGSKQDPIQBDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-9-7-11(17-8(2)16-9)18-13-12(15)10-5-4-6-19-14(10)13/h7,10,12-14H,3-6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine?
8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine has a molecular weight of 262.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(6-ethyl-2-methylpyrimidin-4-yl)-2-oxabicyclo[4.2.0]octane-7,8-diamine is sourced from PubChem (CID 66211179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).