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

C8H8Cl2N2 — CID 54595731

IUPAC4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3
InChIKeyAEKXEKPMZIZYLD-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.97
Rot. Bonds1

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

4,6-dichloro-2-cyclopropyl-5-methylpyrimidine (PubChem CID 54595731) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
PubChem CID54595731
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3
InChIKeyAEKXEKPMZIZYLD-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Trichloro-5-methylpyrimidine
CID 232789
6-Chloro-2-Cyclopropyl-5-Methyl-N-Propylpyrimidin-4-Amine
CID 80970780
2-Amino-4,6-dichloro-5-methylpyrimidine
CID 246751
6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 77230235
4,6-Dichloro-2,5-dimethylpyrimidine
CID 237013
6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine
CID 122191265
Pyrimidine, 4-amino-6-chloro-2,5-dimethyl-
CID 205584
4,6-Dichloro-2-(propan-2-yl)pyrimidine
CID 12440902
6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80970089
4-Chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
CID 80970589
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80971037
4-Chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 80971319

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine (CID 54595731) is 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine?
The InChIKey is AEKXEKPMZIZYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-2-cyclopropyl-5-methylpyrimidine?
4,6-dichloro-2-cyclopropyl-5-methylpyrimidine has a molecular weight of 203.07 g/mol, XLogP of 2.97, 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-cyclopropyl-5-methylpyrimidine is sourced from PubChem (CID 54595731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).