4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine

C16H15BrN2O — CID 114747162

IUPAC4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine
SMILESBrc1cc(-c2cccc3c2OCCC3)nc(C2CC2)n1
InChIInChI=1S/C16H15BrN2O/c17-14-9-13(18-16(19-14)11-6-7-11)12-5-1-3-10-4-2-8-20-15(10)12/h1,3,5,9,11H,2,4,6-8H2
InChIKeyJSMIFHJGFYRYHC-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.11
Rot. Bonds2

About 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine

4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine (PubChem CID 114747162) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine
PubChem CID114747162
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine
SMILESBrc1cc(-c2cccc3c2OCCC3)nc(C2CC2)n1
InChIInChI=1S/C16H15BrN2O/c17-14-9-13(18-16(19-14)11-6-7-11)12-5-1-3-10-4-2-8-20-15(10)12/h1,3,5,9,11H,2,4,6-8H2
InChIKeyJSMIFHJGFYRYHC-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine
CID 114747193
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
CID 114747205
4-bromo-6-(2-chlorophenyl)-2-cyclopropylpyrimidine
CID 112554811
4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770154
6-(3,4-dihydro-2H-chromen-8-yl)pyridin-3-ol
CID 114747681
5-(3,4-dihydro-2H-chromen-8-yl)-1,2-oxazol-3-amine
CID 117308014
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
CID 114747360
8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene
CID 107383866
4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
CID 114606618
6-(3,4-dihydro-2H-chromen-8-yl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114747343

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine?
The IUPAC name of 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine (CID 114747162) is 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine.
What is the SMILES notation for 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine?
The canonical SMILES for 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine is Brc1cc(-c2cccc3c2OCCC3)nc(C2CC2)n1.
What is the InChIKey of 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine?
The InChIKey is JSMIFHJGFYRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-14-9-13(18-16(19-14)11-6-7-11)12-5-1-3-10-4-2-8-20-15(10)12/h1,3,5,9,11H,2,4,6-8H2.
What are the key properties of 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine?
4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine has a molecular weight of 331.21 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine is sourced from PubChem (CID 114747162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).