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

C15H15ClN2O2 — CID 65350620

IUPAC4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C15H15ClN2O2/c1-2-5-10-8-14(16)18-15(17-10)13-9-19-11-6-3-4-7-12(11)20-13/h3-4,6-8,13H,2,5,9H2,1H3
InChIKeyMKKJOEFDWVHRHI-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.60
Rot. Bonds3

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

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine (PubChem CID 65350620) 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)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine
PubChem CID65350620
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C15H15ClN2O2/c1-2-5-10-8-14(16)18-15(17-10)13-9-19-11-6-3-4-7-12(11)20-13/h3-4,6-8,13H,2,5,9H2,1H3
InChIKeyMKKJOEFDWVHRHI-UHFFFAOYSA-N
XLogP3.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.60
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-((m-chlorophenoxy)methyl)-6-methyl-, hydrochloride
CID 3051323
[2-(4-Chloro-phenoxy)-ethyl]-(4,6-dimethyl-pyrimidin-2-yl)-cyanamide
CID 766339
Pyrimidine, 2-((m-chlorophenoxy)methyl)-4-(diethylamino)-6-methyl-, hydrochloride
CID 3025157
Pyrimidine, 4-amino-6-methyl-2-(phenoxymethyl)-, hydrochloride
CID 3051320
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
4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 56815593
4-Chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine
CID 52882426
2-chloro-4-[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 156541380
2-Chloro-4-[3-(2-ethoxyphenoxy)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 156541381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine (CID 65350620) is 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine is CCCc1cc(Cl)nc(C2COc3ccccc3O2)n1.
What is the InChIKey of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine?
The InChIKey is MKKJOEFDWVHRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-2-5-10-8-14(16)18-15(17-10)13-9-19-11-6-3-4-7-12(11)20-13/h3-4,6-8,13H,2,5,9H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine?
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-propylpyrimidine has a molecular weight of 290.75 g/mol, XLogP of 3.60, 3 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-propylpyrimidine is sourced from PubChem (CID 65350620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).