2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C8H8ClN3S — CID 124706862

IUPAC2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N)nc(CCl)nc2s1
InChIInChI=1S/C8H8ClN3S/c1-4-2-5-7(10)11-6(3-9)12-8(5)13-4/h2H,3H2,1H3,(H2,10,11,12)
InChIKeySYYOZPBFAFOVIK-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.32
Rot. Bonds1

About 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 124706862) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID124706862
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N)nc(CCl)nc2s1
InChIInChI=1S/C8H8ClN3S/c1-4-2-5-7(10)11-6(3-9)12-8(5)13-4/h2H,3H2,1H3,(H2,10,11,12)
InChIKeySYYOZPBFAFOVIK-UHFFFAOYSA-N
XLogP2.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 124706862) is 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N)nc(CCl)nc2s1.
What is the InChIKey of 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SYYOZPBFAFOVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c1-4-2-5-7(10)11-6(3-9)12-8(5)13-4/h2H,3H2,1H3,(H2,10,11,12).
What are the key properties of 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 213.69 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 124706862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).