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

C16H16BrN3 — CID 66303147

IUPAC5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
SMILESNc1nc(C2Cc3ccccc3C2)nc(C2CC2)c1Br
InChIInChI=1S/C16H16BrN3/c17-13-14(9-5-6-9)19-16(20-15(13)18)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12H,5-8H2,(H2,18,19,20)
InChIKeyVHRDWSYLRWLCLG-UHFFFAOYSA-N
MW330.23 g/mol
LogP3.58
Rot. Bonds2

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

5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine (PubChem CID 66303147) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
PubChem CID66303147
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine
SMILESNc1nc(C2Cc3ccccc3C2)nc(C2CC2)c1Br
InChIInChI=1S/C16H16BrN3/c17-13-14(9-5-6-9)19-16(20-15(13)18)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12H,5-8H2,(H2,18,19,20)
InChIKeyVHRDWSYLRWLCLG-UHFFFAOYSA-N
XLogP3.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,3-dihydro-1H-inden-2-yl)-6-ethylpyrimidin-4-amine
CID 66299040
5-bromo-4-chloro-6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine
CID 66291866
4-cyclopropyl-6-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazin-2-amine
CID 65404523
5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine
CID 66292068
5-bromo-6-cyclopropyl-2-(1-phenylcyclopropyl)pyrimidin-4-amine
CID 66304571
5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66303348
5-bromo-6-cyclopropyl-2-(phenoxymethyl)pyrimidin-4-amine
CID 66303546
2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine
CID 113383603
5-iodo-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 66307689
5-bromo-6-cyclopropyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 66302529
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66301791
5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66303343

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine (CID 66303147) is 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine is Nc1nc(C2Cc3ccccc3C2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
The InChIKey is VHRDWSYLRWLCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c17-13-14(9-5-6-9)19-16(20-15(13)18)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12H,5-8H2,(H2,18,19,20).
What are the key properties of 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine has a molecular weight of 330.23 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 66303147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).