(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C16H20N4OS — CID 56742433

IUPAC(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)s1
InChIInChI=1S/C16H20N4OS/c1-9-13(22-10(2)18-9)14(21)20-7-11-6-17-15(16(3,4)5)19-12(11)8-20/h6H,7-8H2,1-5H3
InChIKeyAOGQGRICWNFUDX-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.00
Rot. Bonds1

About (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 56742433) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID56742433
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)s1
InChIInChI=1S/C16H20N4OS/c1-9-13(22-10(2)18-9)14(21)20-7-11-6-17-15(16(3,4)5)19-12(11)8-20/h6H,7-8H2,1-5H3
InChIKeyAOGQGRICWNFUDX-UHFFFAOYSA-N
XLogP3.00
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 56742433) is (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)s1.
What is the InChIKey of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is AOGQGRICWNFUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-9-13(22-10(2)18-9)14(21)20-7-11-6-17-15(16(3,4)5)19-12(11)8-20/h6H,7-8H2,1-5H3.
What are the key properties of (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 316.43 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56742433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).