2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine

C17H19N5S — CID 56722263

IUPAC2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2Cc3cnc(CC(C)C)nc3C2)c2ccsc2n1
InChIInChI=1S/C17H19N5S/c1-10(2)6-15-18-7-12-8-22(9-14(12)21-15)16-13-4-5-23-17(13)20-11(3)19-16/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeyAZDACSFJPQBPKI-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.51
Rot. Bonds3

About 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine

2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine (PubChem CID 56722263) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine
PubChem CID56722263
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2Cc3cnc(CC(C)C)nc3C2)c2ccsc2n1
InChIInChI=1S/C17H19N5S/c1-10(2)6-15-18-7-12-8-22(9-14(12)21-15)16-13-4-5-23-17(13)20-11(3)19-16/h4-5,7,10H,6,8-9H2,1-3H3
InChIKeyAZDACSFJPQBPKI-UHFFFAOYSA-N
XLogP3.51
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine (CID 56722263) is 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine is Cc1nc(N2Cc3cnc(CC(C)C)nc3C2)c2ccsc2n1.
What is the InChIKey of 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine?
The InChIKey is AZDACSFJPQBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-10(2)6-15-18-7-12-8-22(9-14(12)21-15)16-13-4-5-23-17(13)20-11(3)19-16/h4-5,7,10H,6,8-9H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine?
2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine has a molecular weight of 325.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 56722263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).