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

C11H15ClN4 — CID 141304217

IUPAC5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCc1nc(N2CC3CNCC3C2)ncc1Cl
InChIInChI=1S/C11H15ClN4/c1-7-10(12)4-14-11(15-7)16-5-8-2-13-3-9(8)6-16/h4,8-9,13H,2-3,5-6H2,1H3
InChIKeyMETAKULTCXOODQ-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.09
Rot. Bonds1

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

5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 141304217) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID141304217
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCc1nc(N2CC3CNCC3C2)ncc1Cl
InChIInChI=1S/C11H15ClN4/c1-7-10(12)4-14-11(15-7)16-5-8-2-13-3-9(8)6-16/h4,8-9,13H,2-3,5-6H2,1H3
InChIKeyMETAKULTCXOODQ-UHFFFAOYSA-N
XLogP1.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 141304217) is 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is Cc1nc(N2CC3CNCC3C2)ncc1Cl.
What is the InChIKey of 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is METAKULTCXOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-7-10(12)4-14-11(15-7)16-5-8-2-13-3-9(8)6-16/h4,8-9,13H,2-3,5-6H2,1H3.
What are the key properties of 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 238.72 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-4-methylpyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 141304217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).