4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine

C15H15ClN2O2 — CID 65350782

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2COc3ccccc3O2)nc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-10-9(2)17-15(18-14(10)16)13-8-19-11-6-4-5-7-12(11)20-13/h4-7,13H,3,8H2,1-2H3
InChIKeyKQKSQNVIIZGTNF-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.51
Rot. Bonds2

About 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine (PubChem CID 65350782) 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-3-yl)-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine
PubChem CID65350782
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2COc3ccccc3O2)nc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-10-9(2)17-15(18-14(10)16)13-8-19-11-6-4-5-7-12(11)20-13/h4-7,13H,3,8H2,1-2H3
InChIKeyKQKSQNVIIZGTNF-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-Dichlorophenoxy)-4-methoxy-2,6-dimethylpyrimidine
CID 2745080
Pyrimidine, 4-amino-2-((o-methoxyphenoxy)methyl)-6-methyl-, hydrochloride
CID 3051324
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 45872154
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 56811782
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(2,4-dimethylpyrimidin-5-yl)ethanamine
CID 84587837
5-Benzyloxy-4-chlor-6-isopropyl-2-methylpyrimidin
CID 14196529
4-Chloro-6-methyl-2-(phenoxymethyl)pyrimidine
CID 15561341
2-[(3-Chlorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 911402
2-[(2-Methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-5-fluoro-6-methylpyrimidine
CID 65997643
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 65997658
2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65997778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine (CID 65350782) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(C2COc3ccccc3O2)nc1Cl.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine?
The InChIKey is KQKSQNVIIZGTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-10-9(2)17-15(18-14(10)16)13-8-19-11-6-4-5-7-12(11)20-13/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-ethyl-6-methylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 3.51, 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-3-yl)-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 65350782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).