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

C8H10Cl2N2 — CID 63611489

IUPAC4,6-dichloro-2-methyl-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3
InChIKeyAUUJPJCANVKAKR-UHFFFAOYSA-N
MW205.09 g/mol
LogP3.04
Rot. Bonds2

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

4,6-dichloro-2-methyl-5-propylpyrimidine (PubChem CID 63611489) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-5-propylpyrimidine
PubChem CID63611489
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4,6-dichloro-2-methyl-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C8H10Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3
InChIKeyAUUJPJCANVKAKR-UHFFFAOYSA-N
XLogP3.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 53.04
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-methyl-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-methyl-5-propylpyrimidine (CID 63611489) is 4,6-dichloro-2-methyl-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methyl-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-methyl-5-propylpyrimidine is CCCc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-methyl-5-propylpyrimidine?
The InChIKey is AUUJPJCANVKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-2-methyl-5-propylpyrimidine?
4,6-dichloro-2-methyl-5-propylpyrimidine has a molecular weight of 205.09 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-5-propylpyrimidine is sourced from PubChem (CID 63611489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).