2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole

C18H24N6OS — CID 126933813

IUPAC2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole
SMILESCOCc1nnc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)s1
InChIInChI=1S/C18H24N6OS/c1-25-10-17-21-22-18(26-17)24-8-13-6-23(7-14(13)9-24)16-5-15(19-11-20-16)12-3-2-4-12/h5,11-14H,2-4,6-10H2,1H3
InChIKeyFAISLLASMNBVET-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole

2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole (PubChem CID 126933813) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole
PubChem CID126933813
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole
SMILESCOCc1nnc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)s1
InChIInChI=1S/C18H24N6OS/c1-25-10-17-21-22-18(26-17)24-8-13-6-23(7-14(13)9-24)16-5-15(19-11-20-16)12-3-2-4-12/h5,11-14H,2-4,6-10H2,1H3
InChIKeyFAISLLASMNBVET-UHFFFAOYSA-N
XLogP2.31
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole with MolForge

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Related Compounds

4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
5-(6-cyclobutylpyrimidin-4-yl)-2-(5-fluoro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 163352817
5-(6-cyclopropylpyrimidin-4-yl)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126858092
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2,4-oxadiazole
CID 126933770
5-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2-oxazole
CID 126933714
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 126933715
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-methyl-1,3-oxazole
CID 126933779
6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941896
5-[[5-(6-cyclopropylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-thiazole
CID 126932774
6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126933724
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
4-[[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]benzonitrile
CID 126933710

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole (CID 126933813) is 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole is COCc1nnc(N2CC3CN(c4cc(C5CCC5)ncn4)CC3C2)s1.
What is the InChIKey of 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole?
The InChIKey is FAISLLASMNBVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-25-10-17-21-22-18(26-17)24-8-13-6-23(7-14(13)9-24)16-5-15(19-11-20-16)12-3-2-4-12/h5,11-14H,2-4,6-10H2,1H3.
What are the key properties of 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole?
2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole has a molecular weight of 372.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(methoxymethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 126933813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).