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

C16H14BrClN2O — CID 66292068

IUPAC5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine
SMILESClc1nc(C2COc3ccccc3C2)nc(C2CC2)c1Br
InChIInChI=1S/C16H14BrClN2O/c17-13-14(9-5-6-9)19-16(20-15(13)18)11-7-10-3-1-2-4-12(10)21-8-11/h1-4,9,11H,5-8H2
InChIKeyNVPLIQUURNGWSW-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.49
Rot. Bonds2

About 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine

5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine (PubChem CID 66292068) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine
PubChem CID66292068
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine
SMILESClc1nc(C2COc3ccccc3C2)nc(C2CC2)c1Br
InChIInChI=1S/C16H14BrClN2O/c17-13-14(9-5-6-9)19-16(20-15(13)18)11-7-10-3-1-2-4-12(10)21-8-11/h1-4,9,11H,5-8H2
InChIKeyNVPLIQUURNGWSW-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine (CID 66292068) is 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine is Clc1nc(C2COc3ccccc3C2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine?
The InChIKey is NVPLIQUURNGWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-13-14(9-5-6-9)19-16(20-15(13)18)11-7-10-3-1-2-4-12(10)21-8-11/h1-4,9,11H,5-8H2.
What are the key properties of 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine?
5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine has a molecular weight of 365.66 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine is sourced from PubChem (CID 66292068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).