4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine

C11H11ClN2O2S — CID 65353789

IUPAC4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(C3COCCO3)nc2s1
InChIInChI=1S/C11H11ClN2O2S/c1-6-4-7-9(12)13-10(14-11(7)17-6)8-5-15-2-3-16-8/h4,8H,2-3,5H2,1H3
InChIKeyIMPOGKWYECUIFM-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.74
Rot. Bonds1

About 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine

4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 65353789) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID65353789
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(C3COCCO3)nc2s1
InChIInChI=1S/C11H11ClN2O2S/c1-6-4-7-9(12)13-10(14-11(7)17-6)8-5-15-2-3-16-8/h4,8H,2-3,5H2,1H3
InChIKeyIMPOGKWYECUIFM-UHFFFAOYSA-N
XLogP2.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-methyl-2-(oxan-3-yl)thieno[2,3-d]pyrimidine
CID 65335000
5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine
CID 66292604
2-(1,4-dioxan-2-yl)-6-methylpyrimidine-4-carboxylic acid
CID 65351840
4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 65415094
2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 65351822
5-bromo-4-chloro-6-cyclopropyl-2-(1,4-dioxan-2-yl)pyrimidine
CID 66292667
5-(1-chloroethyl)-2-(1,4-dioxan-2-yl)-4-methylpyrimidine
CID 65352084
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 82309122
4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309368
4-chloro-2-(1,4-dioxan-2-yl)pyrimidine
CID 65350726
4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine
CID 166119810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine (CID 65353789) is 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(C3COCCO3)nc2s1.
What is the InChIKey of 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is IMPOGKWYECUIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-6-4-7-9(12)13-10(14-11(7)17-6)8-5-15-2-3-16-8/h4,8H,2-3,5H2,1H3.
What are the key properties of 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine?
4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 270.74 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 65353789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).