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

C15H15ClN2O2 — CID 43557725

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)11-8-14(16)18-15(17-11)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyDATUAZFUYGXDQN-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.69
Rot. Bonds2

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

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine (PubChem CID 43557725) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine
PubChem CID43557725
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H15ClN2O2/c1-9(2)11-8-14(16)18-15(17-11)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,5-6H2,1-2H3
InChIKeyDATUAZFUYGXDQN-UHFFFAOYSA-N
XLogP3.69
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.69
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-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine (CID 43557725) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine?
The InChIKey is DATUAZFUYGXDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9(2)11-8-14(16)18-15(17-11)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propan-2-ylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 3.69, 2 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-propan-2-ylpyrimidine is sourced from PubChem (CID 43557725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).