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

C13H11ClN2O2 — CID 43557784

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H11ClN2O2/c1-8-6-12(14)16-13(15-8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3
InChIKeyPBNCTTQIQHCUQB-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.88
Rot. Bonds1

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

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine (PubChem CID 43557784) 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-6-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
PubChem CID43557784
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H11ClN2O2/c1-8-6-12(14)16-13(15-8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3
InChIKeyPBNCTTQIQHCUQB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine (CID 43557784) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine is Cc1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
The InChIKey is PBNCTTQIQHCUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-6-12(14)16-13(15-8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine has a molecular weight of 262.70 g/mol, XLogP of 2.88, 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-6-yl)-6-methylpyrimidine is sourced from PubChem (CID 43557784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).