7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

C11H16N4O2 — CID 66195571

IUPAC7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCOc1ccnc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C11H16N4O2/c1-16-7-2-4-13-11(14-7)15-9-8(12)6-3-5-17-10(6)9/h2,4,6,8-10H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyQTGPPHPPIOTPIJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.01
Rot. Bonds3

About 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine

7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (PubChem CID 66195571) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.

Molecular Properties

Compound Name7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
PubChem CID66195571
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
SMILESCOc1ccnc(NC2C(N)C3CCOC32)n1
InChIInChI=1S/C11H16N4O2/c1-16-7-2-4-13-11(14-7)15-9-8(12)6-3-5-17-10(6)9/h2,4,6,8-10H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyQTGPPHPPIOTPIJ-UHFFFAOYSA-N
XLogP0.01
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The IUPAC name of 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine (CID 66195571) is 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine.
What is the SMILES notation for 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The canonical SMILES for 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is COc1ccnc(NC2C(N)C3CCOC32)n1.
What is the InChIKey of 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
The InChIKey is QTGPPHPPIOTPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-16-7-2-4-13-11(14-7)15-9-8(12)6-3-5-17-10(6)9/h2,4,6,8-10H,3,5,12H2,1H3,(H,13,14,15).
What are the key properties of 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine?
7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine has a molecular weight of 236.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(4-methoxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine is sourced from PubChem (CID 66195571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).