5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C11H16N4O — CID 66320102

IUPAC5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOc1cc(N2CC3CNCC3C2)ncn1
InChIInChI=1S/C11H16N4O/c1-16-11-2-10(13-7-14-11)15-5-8-3-12-4-9(8)6-15/h2,7-9,12H,3-6H2,1H3
InChIKeyCWOOAGYSJFVDQO-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.14
Rot. Bonds2

About 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66320102) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66320102
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCOc1cc(N2CC3CNCC3C2)ncn1
InChIInChI=1S/C11H16N4O/c1-16-11-2-10(13-7-14-11)15-5-8-3-12-4-9(8)6-15/h2,7-9,12H,3-6H2,1H3
InChIKeyCWOOAGYSJFVDQO-UHFFFAOYSA-N
XLogP0.14
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66320102) is 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is COc1cc(N2CC3CNCC3C2)ncn1.
What is the InChIKey of 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is CWOOAGYSJFVDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-16-11-2-10(13-7-14-11)15-5-8-3-12-4-9(8)6-15/h2,7-9,12H,3-6H2,1H3.
What are the key properties of 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 220.28 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66320102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).