N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C15H14N4O3 — CID 52998668

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)noc2n1
InChIInChI=1S/C15H14N4O3/c1-8-13-14(16-9(2)17-15(13)22-19-8)18-10-3-4-11-12(7-10)21-6-5-20-11/h3-4,7H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyLBNRRYJADORJOA-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.75
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 52998668) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID52998668
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)noc2n1
InChIInChI=1S/C15H14N4O3/c1-8-13-14(16-9(2)17-15(13)22-19-8)18-10-3-4-11-12(7-10)21-6-5-20-11/h3-4,7H,5-6H2,1-2H3,(H,16,17,18)
InChIKeyLBNRRYJADORJOA-UHFFFAOYSA-N
XLogP2.75
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 52998668) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)noc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LBNRRYJADORJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-8-13-14(16-9(2)17-15(13)22-19-8)18-10-3-4-11-12(7-10)21-6-5-20-11/h3-4,7H,5-6H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 298.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52998668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).