8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

C13H14N4O — CID 144841183

IUPAC8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1ccccc1N1CCOc2cnc(N)nc21
InChIInChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)17-6-7-18-11-8-15-13(14)16-12(11)17/h2-5,8H,6-7H2,1H3,(H2,14,15,16)
InChIKeyVORHYFJQOARWSE-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.90
Rot. Bonds1

About 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine

8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (PubChem CID 144841183) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.

Molecular Properties

Compound Name8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
PubChem CID144841183
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
SMILESCc1ccccc1N1CCOc2cnc(N)nc21
InChIInChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)17-6-7-18-11-8-15-13(14)16-12(11)17/h2-5,8H,6-7H2,1H3,(H2,14,15,16)
InChIKeyVORHYFJQOARWSE-UHFFFAOYSA-N
XLogP1.90
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The IUPAC name of 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine (CID 144841183) is 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine.
What is the SMILES notation for 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The canonical SMILES for 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is Cc1ccccc1N1CCOc2cnc(N)nc21.
What is the InChIKey of 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
The InChIKey is VORHYFJQOARWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-4-2-3-5-10(9)17-6-7-18-11-8-15-13(14)16-12(11)17/h2-5,8H,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine?
8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine has a molecular weight of 242.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine is sourced from PubChem (CID 144841183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).