4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine

C15H13Cl3N2O — CID 116706634

IUPAC4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine
SMILESCOC1(c2nc(Cl)c(-c3cccc(Cl)c3)c(Cl)n2)CCC1
InChIInChI=1S/C15H13Cl3N2O/c1-21-15(6-3-7-15)14-19-12(17)11(13(18)20-14)9-4-2-5-10(16)8-9/h2,4-5,8H,3,6-7H2,1H3
InChIKeyLWFYYWDCWFRXBN-UHFFFAOYSA-N
MW343.64 g/mol
LogP5.13
Rot. Bonds3

About 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine

4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine (PubChem CID 116706634) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine
PubChem CID116706634
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine
SMILESCOC1(c2nc(Cl)c(-c3cccc(Cl)c3)c(Cl)n2)CCC1
InChIInChI=1S/C15H13Cl3N2O/c1-21-15(6-3-7-15)14-19-12(17)11(13(18)20-14)9-4-2-5-10(16)8-9/h2,4-5,8H,3,6-7H2,1H3
InChIKeyLWFYYWDCWFRXBN-UHFFFAOYSA-N
XLogP5.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.64
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 79441038
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
[2-(1-methoxycyclobutyl)-6-phenylpyrimidin-4-yl]hydrazine
CID 116730279
2-(1-methoxycyclopentyl)-6-phenylpyrimidin-4-amine
CID 104611662
4-chloro-6-cyclopropyl-2-(1-methoxycyclobutyl)pyrimidine
CID 116706276
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136857835
2-(3-chlorophenyl)-6-methoxypyridin-4-amine
CID 105495492
4,6-dichloro-5-cyclopentyl-2-(1-methoxycyclohexyl)pyrimidine
CID 116746440
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701313
[2-(1-methoxycyclopentyl)-6-phenylpyrimidin-4-yl]hydrazine
CID 104611798

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine (CID 116706634) is 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine is COC1(c2nc(Cl)c(-c3cccc(Cl)c3)c(Cl)n2)CCC1.
What is the InChIKey of 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine?
The InChIKey is LWFYYWDCWFRXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-21-15(6-3-7-15)14-19-12(17)11(13(18)20-14)9-4-2-5-10(16)8-9/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine?
4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine has a molecular weight of 343.64 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine is sourced from PubChem (CID 116706634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).