4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine

C14H11BrCl2N2O — CID 80974321

IUPAC4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3H2,1H3
InChIKeySHVYOXGRHVUKAO-UHFFFAOYSA-N
MW374.07 g/mol
LogP5.52
Rot. Bonds3

About 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine

4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine (PubChem CID 80974321) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
PubChem CID80974321
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC Name4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Oc1ccc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2N2O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3H2,1H3
InChIKeySHVYOXGRHVUKAO-UHFFFAOYSA-N
XLogP5.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.07
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
6-(5-bromo-2-chlorophenoxy)-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990914
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
[2-cyclopropyl-6-(2,4-dibromophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 81000209
4-[(3-bromophenyl)methoxy]-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 82824304
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
4-chloro-2-cyclopropyl-6-(3,5-difluorophenoxy)-5-methylpyrimidine
CID 80974330
4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
CID 80973259
4-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 80974217
2-[2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107712328
6-(4-bromo-2-chlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80881509
4-(4-bromo-2-methylphenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 80973130

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine (CID 80974321) is 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1Oc1ccc(Br)cc1Cl.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The InChIKey is SHVYOXGRHVUKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-5-4-9(15)6-10(11)16/h4-6,8H,2-3H2,1H3.
What are the key properties of 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine has a molecular weight of 374.07 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)-6-chloro-2-cyclopropyl-5-methylpyrimidine is sourced from PubChem (CID 80974321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).