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'}

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

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

Launch Full Analysis

Related Compounds

N-[(2-chloro-1,3-thiazol-4-yl)methyl]-2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 167881185
5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 15746030
3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 76847213
5-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 3101501
[7-(ethylamino)-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methanol
CID 130664207
4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540214
N-(2-hydroxypropyl)-5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45220552
6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 130978964
N'-methyl-N'-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)ethane-1,2-diamine
CID 83839207
6-ethenyl-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 90136224
5-phenyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 3151763
N-but-3-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130748325

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).