4,6-dichloro-2-phenyl-5-propylpyrimidine

C13H12Cl2N2 — CID 46705663

IUPAC4,6-dichloro-2-phenyl-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-2-6-10-11(14)16-13(17-12(10)15)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyPOKXBTYREGYFRY-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.40
Rot. Bonds3

About 4,6-dichloro-2-phenyl-5-propylpyrimidine

4,6-dichloro-2-phenyl-5-propylpyrimidine (PubChem CID 46705663) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 4,6-dichloro-2-phenyl-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-phenyl-5-propylpyrimidine
PubChem CID46705663
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name4,6-dichloro-2-phenyl-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccccc2)nc1Cl
InChIInChI=1S/C13H12Cl2N2/c1-2-6-10-11(14)16-13(17-12(10)15)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyPOKXBTYREGYFRY-UHFFFAOYSA-N
XLogP4.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine
CID 106847790
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine
CID 63613499
4,6-dichloro-2-(2-ethylphenyl)-5-propylpyrimidine
CID 63613349
4-chloro-5-ethyl-6-methylsulfanyl-2-phenylpyrimidine
CID 176849205
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
CID 63611491
3-chloro-5-phenyl-4-propyl-1,2-oxazole
CID 91731597
4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
CID 104816907
4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-phenyl-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-phenyl-5-propylpyrimidine (CID 46705663) is 4,6-dichloro-2-phenyl-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-phenyl-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-phenyl-5-propylpyrimidine is CCCc1c(Cl)nc(-c2ccccc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-phenyl-5-propylpyrimidine?
The InChIKey is POKXBTYREGYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-2-6-10-11(14)16-13(17-12(10)15)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 4,6-dichloro-2-phenyl-5-propylpyrimidine?
4,6-dichloro-2-phenyl-5-propylpyrimidine has a molecular weight of 267.16 g/mol, XLogP of 4.40, 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-phenyl-5-propylpyrimidine is sourced from PubChem (CID 46705663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).