5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H24N6 — CID 126932136

IUPAC5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)c1cc(N2CC3CN(Cc4cccnn4)CC3C2)ncn1
InChIInChI=1S/C18H24N6/c1-13(2)17-6-18(20-12-19-17)24-9-14-7-23(8-15(14)10-24)11-16-4-3-5-21-22-16/h3-6,12-15H,7-11H2,1-2H3
InChIKeyLKDACTMINNZGIB-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.96
Rot. Bonds4

About 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126932136) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126932136
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC(C)c1cc(N2CC3CN(Cc4cccnn4)CC3C2)ncn1
InChIInChI=1S/C18H24N6/c1-13(2)17-6-18(20-12-19-17)24-9-14-7-23(8-15(14)10-24)11-16-4-3-5-21-22-16/h3-6,12-15H,7-11H2,1-2H3
InChIKeyLKDACTMINNZGIB-UHFFFAOYSA-N
XLogP1.96
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

1-methyl-6-[[5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]pyrimidin-2-one
CID 126932111
2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-oxazole
CID 126932211
2-[2-(azepan-1-yl)ethyl]-5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932087
2-[(3-cyclopropylimidazol-4-yl)methyl]-5-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932181
5-(pyridazin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 171779799
3-methyl-2-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126932274
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine
CID 126892343
2-[(2-methoxypyrimidin-4-yl)methyl]-5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931777
1-(cyclopropylmethyl)-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-one
CID 126932276
2-methyl-4-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 126932259
1-methyl-3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyridin-2-one
CID 126931947
3-[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyridin-2-one
CID 126931975

Frequently Asked Questions

What is the IUPAC name of 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126932136) is 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC(C)c1cc(N2CC3CN(Cc4cccnn4)CC3C2)ncn1.
What is the InChIKey of 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is LKDACTMINNZGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-13(2)17-6-18(20-12-19-17)24-9-14-7-23(8-15(14)10-24)11-16-4-3-5-21-22-16/h3-6,12-15H,7-11H2,1-2H3.
What are the key properties of 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 324.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126932136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).