2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C9H10ClN3S — CID 9115252

IUPAC2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CCl)nc(N)c2c1C
InChIInChI=1S/C9H10ClN3S/c1-4-5(2)14-9-7(4)8(11)12-6(3-10)13-9/h3H2,1-2H3,(H2,11,12,13)
InChIKeyJBYRXDIWCGCYCN-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.63
Rot. Bonds1

About 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9115252) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9115252
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CCl)nc(N)c2c1C
InChIInChI=1S/C9H10ClN3S/c1-4-5(2)14-9-7(4)8(11)12-6(3-10)13-9/h3H2,1-2H3,(H2,11,12,13)
InChIKeyJBYRXDIWCGCYCN-UHFFFAOYSA-N
XLogP2.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 9115252) is 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CCl)nc(N)c2c1C.
What is the InChIKey of 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JBYRXDIWCGCYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c1-4-5(2)14-9-7(4)8(11)12-6(3-10)13-9/h3H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 227.72 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9115252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).