2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

C19H19N5OS — CID 24883262

IUPAC2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1ccc(CNc2ncnc3sc(Nc4c(C)cccc4C)nc23)o1
InChIInChI=1S/C19H19N5OS/c1-11-5-4-6-12(2)15(11)23-19-24-16-17(21-10-22-18(16)26-19)20-9-14-8-7-13(3)25-14/h4-8,10H,9H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyIHMBCULBIHBUEC-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.96
Rot. Bonds5

About 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine

2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (PubChem CID 24883262) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.

Molecular Properties

Compound Name2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
PubChem CID24883262
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
SMILESCc1ccc(CNc2ncnc3sc(Nc4c(C)cccc4C)nc23)o1
InChIInChI=1S/C19H19N5OS/c1-11-5-4-6-12(2)15(11)23-19-24-16-17(21-10-22-18(16)26-19)20-9-14-8-7-13(3)25-14/h4-8,10H,9H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyIHMBCULBIHBUEC-UHFFFAOYSA-N
XLogP4.96
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The IUPAC name of 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine (CID 24883262) is 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine.
What is the SMILES notation for 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The canonical SMILES for 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is Cc1ccc(CNc2ncnc3sc(Nc4c(C)cccc4C)nc23)o1.
What is the InChIKey of 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
The InChIKey is IHMBCULBIHBUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-11-5-4-6-12(2)15(11)23-19-24-16-17(21-10-22-18(16)26-19)20-9-14-8-7-13(3)25-14/h4-8,10H,9H2,1-3H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine?
2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine has a molecular weight of 365.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-dimethylphenyl)-7-N-[(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine is sourced from PubChem (CID 24883262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).