2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole

C20H27N5S — CID 155974698

IUPAC2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole
SMILESCc1nc2c(c(N3CC4CN(Cc5sc(C)nc5C)CC4C3)n1)CCC2
InChIInChI=1S/C20H27N5S/c1-12-19(26-14(3)21-12)11-24-7-15-9-25(10-16(15)8-24)20-17-5-4-6-18(17)22-13(2)23-20/h15-16H,4-11H2,1-3H3
InChIKeyXGTKYCPYMQVQNW-UHFFFAOYSA-N
MW369.54 g/mol
LogP2.92
Rot. Bonds3

About 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole

2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole (PubChem CID 155974698) has the molecular formula C20H27N5S and a molecular weight of 369.54 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole
PubChem CID155974698
Molecular FormulaC20H27N5S
Molecular Weight369.54 g/mol
Exact Mass369.20
IUPAC Name2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole
SMILESCc1nc2c(c(N3CC4CN(Cc5sc(C)nc5C)CC4C3)n1)CCC2
InChIInChI=1S/C20H27N5S/c1-12-19(26-14(3)21-12)11-24-7-15-9-25(10-16(15)8-24)20-17-5-4-6-18(17)22-13(2)23-20/h15-16H,4-11H2,1-3H3
InChIKeyXGTKYCPYMQVQNW-UHFFFAOYSA-N
XLogP2.92
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole (CID 155974698) is 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole is Cc1nc2c(c(N3CC4CN(Cc5sc(C)nc5C)CC4C3)n1)CCC2.
What is the InChIKey of 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
The InChIKey is XGTKYCPYMQVQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5S/c1-12-19(26-14(3)21-12)11-24-7-15-9-25(10-16(15)8-24)20-17-5-4-6-18(17)22-13(2)23-20/h15-16H,4-11H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole?
2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole has a molecular weight of 369.54 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 155974698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).