4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine

C13H10Cl3FN2 — CID 63613658

IUPAC4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc(Cl)c(F)c2)nc1Cl
InChIInChI=1S/C13H10Cl3FN2/c1-2-3-8-11(15)18-13(19-12(8)16)7-4-5-9(14)10(17)6-7/h4-6H,2-3H2,1H3
InChIKeyHBQBPIDHUJRJMA-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.20
Rot. Bonds3

About 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine

4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine (PubChem CID 63613658) has the molecular formula C13H10Cl3FN2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
PubChem CID63613658
Molecular FormulaC13H10Cl3FN2
Molecular Weight319.59 g/mol
Exact Mass317.99
IUPAC Name4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc(Cl)c(F)c2)nc1Cl
InChIInChI=1S/C13H10Cl3FN2/c1-2-3-8-11(15)18-13(19-12(8)16)7-4-5-9(14)10(17)6-7/h4-6H,2-3H2,1H3
InChIKeyHBQBPIDHUJRJMA-UHFFFAOYSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimethamine
CID 4993
Fenclorim
CID 77338
5-(4-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 134531
4,6-Dichloro-2-phenylpyrimidin-5-amine
CID 736673
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
4-Pyrimidinamine, 6-chloro-2-methyl-N-(phenylmethyl)-5-(2-propenyl)-
CID 854382
4-Chloro-5-[(4-chlorophenyl)methyl]-6-methyl-2-pyrimidinamine
CID 3154202
5-((4-Chlorophenyl)methyl)-6-methylpyrimidine-2,4(1H,3H)-diimine
CID 134621
2,4-Dichloro-6-phenylpyrimidine
CID 241554
4-Chloro-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 614101
HSP90 Inhibitor, 4
CID 17755581

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine (CID 63613658) is 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine is CCCc1c(Cl)nc(-c2ccc(Cl)c(F)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
The InChIKey is HBQBPIDHUJRJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3FN2/c1-2-3-8-11(15)18-13(19-12(8)16)7-4-5-9(14)10(17)6-7/h4-6H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine?
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine has a molecular weight of 319.59 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine is sourced from PubChem (CID 63613658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).