5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine

C15H16BrN3 — CID 66299040

IUPAC5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(C2Cc3ccccc3C2)nc(N)c1Br
InChIInChI=1S/C15H16BrN3/c1-2-12-13(16)14(17)19-15(18-12)11-7-9-5-3-4-6-10(9)8-11/h3-6,11H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeySWZCKFCIDRSJEW-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine

5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine (PubChem CID 66299040) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine
PubChem CID66299040
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1nc(C2Cc3ccccc3C2)nc(N)c1Br
InChIInChI=1S/C15H16BrN3/c1-2-12-13(16)14(17)19-15(18-12)11-7-9-5-3-4-6-10(9)8-11/h3-6,11H,2,7-8H2,1H3,(H2,17,18,19)
InChIKeySWZCKFCIDRSJEW-UHFFFAOYSA-N
XLogP3.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
CID 66303147
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66301791
2-(2,3-dihydro-1H-inden-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 66299871
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443
5-bromo-3-cyclopropyl-6-ethylpyrazin-2-amine;2,3-dihydro-1H-inden-2-ol
CID 142247235
4-cyclopropyl-6-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazin-2-amine
CID 65404523
4-chloro-6-ethyl-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66294437
5-bromo-6-ethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66300793
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
5-bromo-3,6-diethylpyrazin-2-amine;2,3-dihydro-1H-indene;ethane
CID 142247300
2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65405035
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 66307689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine (CID 66299040) is 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine is CCc1nc(C2Cc3ccccc3C2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is SWZCKFCIDRSJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-2-12-13(16)14(17)19-15(18-12)11-7-9-5-3-4-6-10(9)8-11/h3-6,11H,2,7-8H2,1H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine?
5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 66299040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).