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

C14H22N4O — CID 112635034

IUPAC5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCOc1cc(C)nc(N2CC3CNCC3C2C)n1
InChIInChI=1S/C14H22N4O/c1-4-19-13-5-9(2)16-14(17-13)18-8-11-6-15-7-12(11)10(18)3/h5,10-12,15H,4,6-8H2,1-3H3
InChIKeyJZOMSPBIBMDUMB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.23
Rot. Bonds3

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

5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 112635034) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID112635034
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCOc1cc(C)nc(N2CC3CNCC3C2C)n1
InChIInChI=1S/C14H22N4O/c1-4-19-13-5-9(2)16-14(17-13)18-8-11-6-15-7-12(11)10(18)3/h5,10-12,15H,4,6-8H2,1-3H3
InChIKeyJZOMSPBIBMDUMB-UHFFFAOYSA-N
XLogP1.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

4-methyl-5-(4-propoxypyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112638761
2-(chloromethyl)-4-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylmorpholine
CID 112635781
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115973483
5-(6-ethoxypyrimidin-4-yl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66320126
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methylpyrimidine-4-carbonitrile
CID 107552616
2-methyl-6-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-4-carboxamide
CID 114770138
1-(4-ethoxy-6-methylpyrimidin-2-yl)-5-methylpiperidin-3-amine
CID 112635064
2-[2-(bromomethyl)piperidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635723
6-methyl-2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 66208279
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
2-[3-(chloromethyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635557

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 112635034) is 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCOc1cc(C)nc(N2CC3CNCC3C2C)n1.
What is the InChIKey of 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is JZOMSPBIBMDUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-19-13-5-9(2)16-14(17-13)18-8-11-6-15-7-12(11)10(18)3/h5,10-12,15H,4,6-8H2,1-3H3.
What are the key properties of 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 262.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 112635034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).