4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine

C14H13Cl3N2O — CID 104816907

IUPAC4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2c(Cl)cccc2OC)nc1Cl
InChIInChI=1S/C14H13Cl3N2O/c1-3-5-8-12(16)18-14(19-13(8)17)11-9(15)6-4-7-10(11)20-2/h4,6-7H,3,5H2,1-2H3
InChIKeyHHZXLXPEQGIKCT-UHFFFAOYSA-N
MW331.63 g/mol
LogP5.06
Rot. Bonds4

About 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine

4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine (PubChem CID 104816907) has the molecular formula C14H13Cl3N2O and a molecular weight of 331.63 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
PubChem CID104816907
Molecular FormulaC14H13Cl3N2O
Molecular Weight331.63 g/mol
Exact Mass330.01
IUPAC Name4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2c(Cl)cccc2OC)nc1Cl
InChIInChI=1S/C14H13Cl3N2O/c1-3-5-8-12(16)18-14(19-13(8)17)11-9(15)6-4-7-10(11)20-2/h4,6-7H,3,5H2,1-2H3
InChIKeyHHZXLXPEQGIKCT-UHFFFAOYSA-N
XLogP5.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.63
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine
CID 63613499
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 113456422
4-chloro-2-(2-chloro-6-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 104816917
5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
2-(2-chloro-6-methoxyphenyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 104818259
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
2-(2-chloro-6-methoxyphenyl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56878178
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 104818371
3-methoxy-2-propylphenol
CID 10607156

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine (CID 104816907) is 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine is CCCc1c(Cl)nc(-c2c(Cl)cccc2OC)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine?
The InChIKey is HHZXLXPEQGIKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O/c1-3-5-8-12(16)18-14(19-13(8)17)11-9(15)6-4-7-10(11)20-2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine?
4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine has a molecular weight of 331.63 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine is sourced from PubChem (CID 104816907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).