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

C15H16BrN3 — CID 66306066

IUPAC5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CCc3ccccc32)nc(C)c1Br
InChIInChI=1S/C15H16BrN3/c1-9-13(16)15(17-2)19-14(18-9)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyNRSBROOLPZPXBE-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.67
Rot. Bonds2

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

5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 66306066) 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-1-yl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine
PubChem CID66306066
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1nc(C2CCc3ccccc32)nc(C)c1Br
InChIInChI=1S/C15H16BrN3/c1-9-13(16)15(17-2)19-14(18-9)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyNRSBROOLPZPXBE-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 65405029
[5,6-dimethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63250464
4-amino-2-(2,3-dihydro-1H-inden-1-yl)-6-methylpyrimidine-5-carboxamide
CID 116648134
4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 65413885
2-(2,3-dihydro-1H-inden-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 65404630
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490
6-methyl-5-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 63251001
[6-cyclopropyl-2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]hydrazine
CID 65404645
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66307658
5-bromo-4-chloro-6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 66293143

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine (CID 66306066) is 5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine is CNc1nc(C2CCc3ccccc32)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is NRSBROOLPZPXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-9-13(16)15(17-2)19-14(18-9)12-8-7-10-5-3-4-6-11(10)12/h3-6,12H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine?
5-bromo-2-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 3.67, 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-1-yl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66306066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).