5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine

C13H12BrN3O — CID 80882067

IUPAC5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H12BrN3O/c14-11-7-16-13(15)17-12(11)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,15,16,17)
InChIKeyAXMKCDZCFDRAKP-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.10
Rot. Bonds2

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

5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine (PubChem CID 80882067) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
PubChem CID80882067
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H12BrN3O/c14-11-7-16-13(15)17-12(11)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,15,16,17)
InChIKeyAXMKCDZCFDRAKP-UHFFFAOYSA-N
XLogP3.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80873844
5-bromo-4-naphthalen-2-yloxypyrimidin-2-amine
CID 80869770
5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 104507282
5-bromo-4-(4-bromo-3-methylphenoxy)pyrimidin-2-amine
CID 83134763
4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine
CID 80874662
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyridin-3-amine
CID 103518724
5-bromo-4-(3-chlorophenoxy)pyrimidin-2-amine
CID 80869635
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-5-amine
CID 79916312
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379
2-(2,3-dihydro-1H-inden-5-yloxy)-6-methylpyridin-3-amine
CID 81133195
6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 79176837
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
CID 80917000

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine (CID 80882067) is 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine is Nc1ncc(Br)c(Oc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine?
The InChIKey is AXMKCDZCFDRAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-11-7-16-13(15)17-12(11)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H2,15,16,17).
What are the key properties of 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine?
5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine has a molecular weight of 306.16 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80882067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).