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

C14H15N5O — CID 70326750

IUPAC5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)CONC(N)=N1
InChIInChI=1S/C14H15N5O/c1-14(8-20-19-13(15)18-14)12-4-2-3-10(5-12)11-6-16-9-17-7-11/h2-7,9H,8H2,1H3,(H3,15,18,19)
InChIKeyIAIRWWXYZVQEKA-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.21
Rot. Bonds2

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

5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine (PubChem CID 70326750) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine.

Molecular Properties

Compound Name5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine
PubChem CID70326750
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine
SMILESCC1(c2cccc(-c3cncnc3)c2)CONC(N)=N1
InChIInChI=1S/C14H15N5O/c1-14(8-20-19-13(15)18-14)12-4-2-3-10(5-12)11-6-16-9-17-7-11/h2-7,9H,8H2,1H3,(H3,15,18,19)
InChIKeyIAIRWWXYZVQEKA-UHFFFAOYSA-N
XLogP1.21
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-amine
CID 70126180
2-amino-4-phenyl-4-(3-pyrimidin-5-ylphenyl)-1H-imidazol-5-one
CID 143064638
(6S)-6-methyl-6-(3-pyrimidin-5-ylphenyl)-4,5-dihydro-1,3-thiazin-2-amine
CID 67025352
7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 66860868
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
2-amino-4-(3-pyrimidin-5-ylphenyl)-4-(1,3-thiazol-4-yl)-1H-imidazol-5-one
CID 71220455
3-pyrimidin-5-ylaniline
CID 7162049
(4S)-4-(4-ethoxy-3-methylphenyl)-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-amine
CID 67347062
(3aS,7aR)-7a-(3-pyrimidin-5-ylphenyl)-3a,4,6,7-tetrahydropyrano[4,3-d][1,3]oxazol-2-amine
CID 72712537
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine
CID 59596313
5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
CID 89248186
5-pyridin-4-yl-5-(3-pyrimidin-5-ylphenyl)pyrrolo[3,4-b]pyridin-7-amine
CID 25119893

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine?
The IUPAC name of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine (CID 70326750) is 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine.
What is the SMILES notation for 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine?
The canonical SMILES for 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine is CC1(c2cccc(-c3cncnc3)c2)CONC(N)=N1.
What is the InChIKey of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine?
The InChIKey is IAIRWWXYZVQEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-14(8-20-19-13(15)18-14)12-4-2-3-10(5-12)11-6-16-9-17-7-11/h2-7,9H,8H2,1H3,(H3,15,18,19).
What are the key properties of 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine?
5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine has a molecular weight of 269.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-pyrimidin-5-ylphenyl)-2,6-dihydro-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 70326750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).