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

C13H13N3O2 — CID 62203853

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H13N3O2/c1-8-6-12(14)16-13(15-8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15,16)
InChIKeyRQOJLOFWBNSAEH-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.81
Rot. Bonds1

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine (PubChem CID 62203853) 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)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
PubChem CID62203853
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H13N3O2/c1-8-6-12(14)16-13(15-8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15,16)
InChIKeyRQOJLOFWBNSAEH-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

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
CID 82477974
2-(1,3-benzodioxol-5-yl)-4-chloro-6-methylpyrimidine
CID 43557789
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
CID 82079467
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 95474302
2-(4-bromo-3-methylphenyl)-6-methylpyrimidin-4-amine
CID 66479676
2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 116897223
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-2-yl]hydrazine
CID 82192466
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
2-(7-chloro-1,3-benzodioxol-5-yl)-6-methylpyrimidin-4-amine
CID 55063355
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193663

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine (CID 62203853) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine is Cc1cc(N)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine?
The InChIKey is RQOJLOFWBNSAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-6-12(14)16-13(15-8)9-2-3-10-11(7-9)18-5-4-17-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15,16).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-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)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62203853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).