4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine

C13H11ClN2O2 — CID 65350568

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C13H11ClN2O2/c1-8-6-12(14)16-13(15-8)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11H,7H2,1H3
InChIKeyHUIFIOMHXCQHCI-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.95
Rot. Bonds1

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine (PubChem CID 65350568) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine
PubChem CID65350568
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C13H11ClN2O2/c1-8-6-12(14)16-13(15-8)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11H,7H2,1H3
InChIKeyHUIFIOMHXCQHCI-UHFFFAOYSA-N
XLogP2.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3051323
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CID 766339
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CID 3025157
CID 3025157
CID 3051320
CID 3051320
CID 3051324
CID 3051324
CID 45872154
CID 45872154
CID 56811782
CID 56811782
CID 56815593
CID 56815593
CID 611982
CID 611982
CID 52882426
CID 52882426
CID 156541380
CID 156541380

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine (CID 65350568) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine is Cc1cc(Cl)nc(C2COc3ccccc3O2)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine?
The InChIKey is HUIFIOMHXCQHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-6-12(14)16-13(15-8)11-7-17-9-4-2-3-5-10(9)18-11/h2-6,11H,7H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine has a molecular weight of 262.70 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-methylpyrimidine is sourced from PubChem (CID 65350568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).