2,4-dichloro-5-methyl-6-phenylpyrimidine

C11H8Cl2N2 — CID 12685528

IUPAC2,4-dichloro-5-methyl-6-phenylpyrimidine
SMILESCc1c(Cl)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C11H8Cl2N2/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3
InChIKeyMIOVUZDBKROLPF-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.76
Rot. Bonds1

About 2,4-dichloro-5-methyl-6-phenylpyrimidine

2,4-dichloro-5-methyl-6-phenylpyrimidine (PubChem CID 12685528) has the molecular formula C11H8Cl2N2 and a molecular weight of 239.11 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-6-phenylpyrimidine
PubChem CID12685528
Molecular FormulaC11H8Cl2N2
Molecular Weight239.11 g/mol
Exact Mass238.01
IUPAC Name2,4-dichloro-5-methyl-6-phenylpyrimidine
SMILESCc1c(Cl)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C11H8Cl2N2/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3
InChIKeyMIOVUZDBKROLPF-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrimethamine
CID 4993
Metoprine
CID 24466
Etoprine
CID 29142
Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
Fenclorim
CID 77338
2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-6-phenylpyrimidine?
The IUPAC name of 2,4-dichloro-5-methyl-6-phenylpyrimidine (CID 12685528) is 2,4-dichloro-5-methyl-6-phenylpyrimidine.
What is the SMILES notation for 2,4-dichloro-5-methyl-6-phenylpyrimidine?
The canonical SMILES for 2,4-dichloro-5-methyl-6-phenylpyrimidine is Cc1c(Cl)nc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2,4-dichloro-5-methyl-6-phenylpyrimidine?
The InChIKey is MIOVUZDBKROLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2/c1-7-9(8-5-3-2-4-6-8)14-11(13)15-10(7)12/h2-6H,1H3.
What are the key properties of 2,4-dichloro-5-methyl-6-phenylpyrimidine?
2,4-dichloro-5-methyl-6-phenylpyrimidine has a molecular weight of 239.11 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-6-phenylpyrimidine is sourced from PubChem (CID 12685528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).