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

C15H16BrN3O2 — CID 66300749

IUPAC5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOc3ccccc32)nc(N)c1Br
InChIInChI=1S/C15H16BrN3O2/c1-20-8-11-13(16)14(17)19-15(18-11)10-6-7-21-12-5-3-2-4-9(10)12/h2-5,10H,6-8H2,1H3,(H2,17,18,19)
InChIKeyOYAUBODCIRBUNA-UHFFFAOYSA-N
MW350.22 g/mol
LogP2.88
Rot. Bonds3

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

5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66300749) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66300749
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC Name5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOc3ccccc32)nc(N)c1Br
InChIInChI=1S/C15H16BrN3O2/c1-20-8-11-13(16)14(17)19-15(18-11)10-6-7-21-12-5-3-2-4-9(10)12/h2-5,10H,6-8H2,1H3,(H2,17,18,19)
InChIKeyOYAUBODCIRBUNA-UHFFFAOYSA-N
XLogP2.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66298788
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-bromo-4-chloro-6-(methoxymethyl)pyrimidine
CID 66292821
methyl 2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474215
5-bromo-2-(2,3-dihydro-1-benzofuran-3-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480601
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 65414507
2-[[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81065351
3-bromo-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 112571434
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-bromo-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66299983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine (CID 66300749) is 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1nc(C2CCOc3ccccc32)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is OYAUBODCIRBUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-20-8-11-13(16)14(17)19-15(18-11)10-6-7-21-12-5-3-2-4-9(10)12/h2-5,10H,6-8H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine?
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 350.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66300749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).