4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine

C16H17BrN2O — CID 114747193

IUPAC4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Br)cc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C16H17BrN2O/c1-10(2)16-18-13(9-14(17)19-16)12-7-3-5-11-6-4-8-20-15(11)12/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyHZIVYSRGTUFDOG-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.35
Rot. Bonds2

About 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine

4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine (PubChem CID 114747193) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine
PubChem CID114747193
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Br)cc(-c2cccc3c2OCCC3)n1
InChIInChI=1S/C16H17BrN2O/c1-10(2)16-18-13(9-14(17)19-16)12-7-3-5-11-6-4-8-20-15(11)12/h3,5,7,9-10H,4,6,8H2,1-2H3
InChIKeyHZIVYSRGTUFDOG-UHFFFAOYSA-N
XLogP4.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine (CID 114747193) is 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine is CC(C)c1nc(Br)cc(-c2cccc3c2OCCC3)n1.
What is the InChIKey of 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine?
The InChIKey is HZIVYSRGTUFDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10(2)16-18-13(9-14(17)19-16)12-7-3-5-11-6-4-8-20-15(11)12/h3,5,7,9-10H,4,6,8H2,1-2H3.
What are the key properties of 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine?
4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine has a molecular weight of 333.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 114747193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).