2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C9H10N4S — CID 131113927

IUPAC2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESC=CCNc1ncnc2sc(C)nc12
InChIInChI=1S/C9H10N4S/c1-3-4-10-8-7-9(12-5-11-8)14-6(2)13-7/h3,5H,1,4H2,2H3,(H,10,11,12)
InChIKeyIQPSRIPFYCFQQJ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.99
Rot. Bonds3

About 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 131113927) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID131113927
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESC=CCNc1ncnc2sc(C)nc12
InChIInChI=1S/C9H10N4S/c1-3-4-10-8-7-9(12-5-11-8)14-6(2)13-7/h3,5H,1,4H2,2H3,(H,10,11,12)
InChIKeyIQPSRIPFYCFQQJ-UHFFFAOYSA-N
XLogP1.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 131113927) is 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is C=CCNc1ncnc2sc(C)nc12.
What is the InChIKey of 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is IQPSRIPFYCFQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-3-4-10-8-7-9(12-5-11-8)14-6(2)13-7/h3,5H,1,4H2,2H3,(H,10,11,12).
What are the key properties of 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 206.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 131113927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).