4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine

C9H12Cl2N2 — CID 54595783

IUPAC4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine
SMILESCc1c(Cl)nc(CC(C)C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(2)4-7-12-8(10)6(3)9(11)13-7/h5H,4H2,1-3H3
InChIKeyHPHVLUOXUHLPHZ-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.29
Rot. Bonds2

About 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine

4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine (PubChem CID 54595783) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.11 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine
PubChem CID54595783
Molecular FormulaC9H12Cl2N2
Molecular Weight219.11 g/mol
Exact Mass218.04
IUPAC Name4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine
SMILESCc1c(Cl)nc(CC(C)C)nc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(2)4-7-12-8(10)6(3)9(11)13-7/h5H,4H2,1-3H3
InChIKeyHPHVLUOXUHLPHZ-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine (CID 54595783) is 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine is Cc1c(Cl)nc(CC(C)C)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine?
The InChIKey is HPHVLUOXUHLPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-5(2)4-7-12-8(10)6(3)9(11)13-7/h5H,4H2,1-3H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine?
4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine has a molecular weight of 219.11 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 54595783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).