5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine

C15H16N4O — CID 54761047

IUPAC5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)COCC(N)=N1
InChIInChI=1S/C15H16N4O/c1-15(9-20-8-14(16)19-15)13-4-2-3-11(5-13)12-6-17-10-18-7-12/h2-7,10H,8-9H2,1H3,(H2,16,19)
InChIKeyYUSMYCUJOJEXRA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.75
Rot. Bonds2

About 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine

5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 54761047) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID54761047
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)COCC(N)=N1
InChIInChI=1S/C15H16N4O/c1-15(9-20-8-14(16)19-15)13-4-2-3-11(5-13)12-6-17-10-18-7-12/h2-7,10H,8-9H2,1H3,(H2,16,19)
InChIKeyYUSMYCUJOJEXRA-UHFFFAOYSA-N
XLogP1.75
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine (CID 54761047) is 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine is CC1(c2cccc(-c3cncnc3)c2)COCC(N)=N1.
What is the InChIKey of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is YUSMYCUJOJEXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-15(9-20-8-14(16)19-15)13-4-2-3-11(5-13)12-6-17-10-18-7-12/h2-7,10H,8-9H2,1H3,(H2,16,19).
What are the key properties of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine?
5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 268.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 54761047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).