5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine

C15H16BrN3O — CID 66298443

IUPAC5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(C2CCOc3ccccc32)nc(N)c1Br
InChIInChI=1S/C15H16BrN3O/c1-2-11-13(16)14(17)19-15(18-11)10-7-8-20-12-6-4-3-5-9(10)12/h3-6,10H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeyJZTGNDOJZQPKTC-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.30
Rot. Bonds2

About 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine

5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine (PubChem CID 66298443) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
PubChem CID66298443
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(C2CCOc3ccccc32)nc(N)c1Br
InChIInChI=1S/C15H16BrN3O/c1-2-11-13(16)14(17)19-15(18-11)10-7-8-20-12-6-4-3-5-9(10)12/h3-6,10H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeyJZTGNDOJZQPKTC-UHFFFAOYSA-N
XLogP3.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66300749
4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
CID 116647303
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192961
2-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81065351
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841063
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 65414507
5-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 139002468
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65405099
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
3-(3,4-dihydro-2H-chromen-4-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65405691
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine (CID 66298443) is 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine is CCc1nc(C2CCOc3ccccc32)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is JZTGNDOJZQPKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-11-13(16)14(17)19-15(18-11)10-7-8-20-12-6-4-3-5-9(10)12/h3-6,10H,2,7-8H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine?
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 334.22 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 66298443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).