2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine

C13H13N3O2 — CID 82477974

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
SMILESCc1nc(-c2ccc3c(c2)OCCO3)ncc1N
InChIInChI=1S/C13H13N3O2/c1-8-10(14)7-15-13(16-8)9-2-3-11-12(6-9)18-5-4-17-11/h2-3,6-7H,4-5,14H2,1H3
InChIKeyAJIZBPSLLVCQDY-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.81
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine (PubChem CID 82477974) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
PubChem CID82477974
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
SMILESCc1nc(-c2ccc3c(c2)OCCO3)ncc1N
InChIInChI=1S/C13H13N3O2/c1-8-10(14)7-15-13(16-8)9-2-3-11-12(6-9)18-5-4-17-11/h2-3,6-7H,4-5,14H2,1H3
InChIKeyAJIZBPSLLVCQDY-UHFFFAOYSA-N
XLogP1.81
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
CID 82079467
4-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
CID 82307863
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
CID 62202609
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 96668348
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine (CID 82477974) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine is Cc1nc(-c2ccc3c(c2)OCCO3)ncc1N.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine?
The InChIKey is AJIZBPSLLVCQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-10(14)7-15-13(16-8)9-2-3-11-12(6-9)18-5-4-17-11/h2-3,6-7H,4-5,14H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine has a molecular weight of 243.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine is sourced from PubChem (CID 82477974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).