4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine

C10H14Cl2N2 — CID 63892135

IUPAC4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(CC(C)(C)C)nc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-6-8(11)13-7(14-9(6)12)5-10(2,3)4/h5H2,1-4H3
InChIKeyQDQDHUCBWIGWSL-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.68
Rot. Bonds1

About 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine

4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine (PubChem CID 63892135) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
PubChem CID63892135
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(CC(C)(C)C)nc1Cl
InChIInChI=1S/C10H14Cl2N2/c1-6-8(11)13-7(14-9(6)12)5-10(2,3)4/h5H2,1-4H3
InChIKeyQDQDHUCBWIGWSL-UHFFFAOYSA-N
XLogP3.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine (CID 63892135) is 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine is Cc1c(Cl)nc(CC(C)(C)C)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine?
The InChIKey is QDQDHUCBWIGWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-6-8(11)13-7(14-9(6)12)5-10(2,3)4/h5H2,1-4H3.
What are the key properties of 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine?
4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine has a molecular weight of 233.14 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine is sourced from PubChem (CID 63892135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).