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

C13H12N2O2 — CID 116903863

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
SMILESCc1nccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H12N2O2/c1-9-14-5-4-11(15-9)10-2-3-12-13(8-10)17-7-6-16-12/h2-5,8H,6-7H2,1H3
InChIKeySXZDMQPOFWZQQB-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.22
Rot. Bonds1

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

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine (PubChem CID 116903863) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
PubChem CID116903863
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
SMILESCc1nccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H12N2O2/c1-9-14-5-4-11(15-9)10-2-3-12-13(8-10)17-7-6-16-12/h2-5,8H,6-7H2,1H3
InChIKeySXZDMQPOFWZQQB-UHFFFAOYSA-N
XLogP2.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
2-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrimidine
CID 79072757
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527889
4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
CID 116903746
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 171989140
2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 116897223
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
CID 115530049
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 62746951
4-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
CID 82307863

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine (CID 116903863) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine is Cc1nccc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine?
The InChIKey is SXZDMQPOFWZQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-14-5-4-11(15-9)10-2-3-12-13(8-10)17-7-6-16-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine has a molecular weight of 228.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine is sourced from PubChem (CID 116903863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).