5-benzyl-4,6-dichloro-2-methylpyrimidine

C12H10Cl2N2 — CID 57444181

IUPAC5-benzyl-4,6-dichloro-2-methylpyrimidine
SMILESCc1nc(Cl)c(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-8-15-11(13)10(12(14)16-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeySKDRYEODPURSOX-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.68
Rot. Bonds2

About 5-benzyl-4,6-dichloro-2-methylpyrimidine

5-benzyl-4,6-dichloro-2-methylpyrimidine (PubChem CID 57444181) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 5-benzyl-4,6-dichloro-2-methylpyrimidine.

Molecular Properties

Compound Name5-benzyl-4,6-dichloro-2-methylpyrimidine
PubChem CID57444181
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name5-benzyl-4,6-dichloro-2-methylpyrimidine
SMILESCc1nc(Cl)c(Cc2ccccc2)c(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c1-8-15-11(13)10(12(14)16-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeySKDRYEODPURSOX-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4,6-dichloro-2-methylpyrimidine?
The IUPAC name of 5-benzyl-4,6-dichloro-2-methylpyrimidine (CID 57444181) is 5-benzyl-4,6-dichloro-2-methylpyrimidine.
What is the SMILES notation for 5-benzyl-4,6-dichloro-2-methylpyrimidine?
The canonical SMILES for 5-benzyl-4,6-dichloro-2-methylpyrimidine is Cc1nc(Cl)c(Cc2ccccc2)c(Cl)n1.
What is the InChIKey of 5-benzyl-4,6-dichloro-2-methylpyrimidine?
The InChIKey is SKDRYEODPURSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c1-8-15-11(13)10(12(14)16-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 5-benzyl-4,6-dichloro-2-methylpyrimidine?
5-benzyl-4,6-dichloro-2-methylpyrimidine has a molecular weight of 253.13 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4,6-dichloro-2-methylpyrimidine is sourced from PubChem (CID 57444181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).