6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine

C18H21N7 — CID 126934198

IUPAC6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CC4CN(c5ncncc5C)CC4C3)c2[nH]1
InChIInChI=1S/C18H21N7/c1-11-4-19-9-21-17(11)24-5-13-7-25(8-14(13)6-24)18-16-15(20-10-22-18)3-12(2)23-16/h3-4,9-10,13-14,23H,5-8H2,1-2H3
InChIKeyXAYPYBMNYWPYGH-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.94
Rot. Bonds2

About 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine

6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 126934198) has the molecular formula C18H21N7 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID126934198
Molecular FormulaC18H21N7
Molecular Weight335.41 g/mol
Exact Mass335.19
IUPAC Name6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CC4CN(c5ncncc5C)CC4C3)c2[nH]1
InChIInChI=1S/C18H21N7/c1-11-4-19-9-21-17(11)24-5-13-7-25(8-14(13)6-24)18-16-15(20-10-22-18)3-12(2)23-16/h3-4,9-10,13-14,23H,5-8H2,1-2H3
InChIKeyXAYPYBMNYWPYGH-UHFFFAOYSA-N
XLogP1.94
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

5-(5-methylpyrimidin-4-yl)-2-(pyrimidin-5-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934054
5-(5-methylpyrimidin-4-yl)-2-(2-pyrrolidin-1-ylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933952
4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[2,3-d]pyrimidine
CID 126934207
6-methyl-4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 166605553
2-(5-methylpyrimidin-4-yl)-5-pyrrolidin-1-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933914
2-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3,4-thiadiazole
CID 126934167
6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927588
[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126933874
2-(cyclohexylmethyl)-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933958
2-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]-5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126934119
5,6-dimethyl-7-[5-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126933939
6-fluoro-2-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-benzoxazole
CID 126934201

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine (CID 126934198) is 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine is Cc1cc2ncnc(N3CC4CN(c5ncncc5C)CC4C3)c2[nH]1.
What is the InChIKey of 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is XAYPYBMNYWPYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-11-4-19-9-21-17(11)24-5-13-7-25(8-14(13)6-24)18-16-15(20-10-22-18)3-12(2)23-16/h3-4,9-10,13-14,23H,5-8H2,1-2H3.
What are the key properties of 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine?
6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 335.41 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 126934198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).