4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine

C10H11ClN2OS — CID 43146917

IUPAC4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C10H11ClN2OS/c1-5-6(2)15-10-8(5)9(11)12-7(13-10)4-14-3/h4H2,1-3H3
InChIKeyQGSKIMOMVLRLAN-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine

4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 43146917) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID43146917
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(Cl)c2c(C)c(C)sc2n1
InChIInChI=1S/C10H11ClN2OS/c1-5-6(2)15-10-8(5)9(11)12-7(13-10)4-14-3/h4H2,1-3H3
InChIKeyQGSKIMOMVLRLAN-UHFFFAOYSA-N
XLogP3.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine (CID 43146917) is 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine is COCc1nc(Cl)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is QGSKIMOMVLRLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-5-6(2)15-10-8(5)9(11)12-7(13-10)4-14-3/h4H2,1-3H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine?
4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 242.73 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 43146917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).