2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine

C7H9N5S — CID 87125900

IUPAC2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine
SMILESCNc1nc2c(C)nc(N)nc2s1
InChIInChI=1S/C7H9N5S/c1-3-4-5(12-6(8)10-3)13-7(9-2)11-4/h1-2H3,(H,9,11)(H2,8,10,12)
InChIKeyQQVCDFXKKFEBAA-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.02
Rot. Bonds1

About 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine

2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine (PubChem CID 87125900) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine
PubChem CID87125900
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine
SMILESCNc1nc2c(C)nc(N)nc2s1
InChIInChI=1S/C7H9N5S/c1-3-4-5(12-6(8)10-3)13-7(9-2)11-4/h1-2H3,(H,9,11)(H2,8,10,12)
InChIKeyQQVCDFXKKFEBAA-UHFFFAOYSA-N
XLogP1.02
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine?
The IUPAC name of 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine (CID 87125900) is 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine?
The canonical SMILES for 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine is CNc1nc2c(C)nc(N)nc2s1.
What is the InChIKey of 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine?
The InChIKey is QQVCDFXKKFEBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-3-4-5(12-6(8)10-3)13-7(9-2)11-4/h1-2H3,(H,9,11)(H2,8,10,12).
What are the key properties of 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine?
2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine has a molecular weight of 195.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,5-diamine is sourced from PubChem (CID 87125900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).