2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine

C12H12Cl2N4O2 — CID 171097396

IUPAC2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1OCCOc1nc(Cl)ncc1C
InChIInChI=1S/C12H12Cl2N4O2/c1-7-5-15-11(13)17-9(7)19-3-4-20-10-8(2)6-16-12(14)18-10/h5-6H,3-4H2,1-2H3
InChIKeyYETIAQVXRARRDI-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.65
Rot. Bonds5

About 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine

2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine (PubChem CID 171097396) has the molecular formula C12H12Cl2N4O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
PubChem CID171097396
Molecular FormulaC12H12Cl2N4O2
Molecular Weight315.16 g/mol
Exact Mass314.03
IUPAC Name2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1OCCOc1nc(Cl)ncc1C
InChIInChI=1S/C12H12Cl2N4O2/c1-7-5-15-11(13)17-9(7)19-3-4-20-10-8(2)6-16-12(14)18-10/h5-6H,3-4H2,1-2H3
InChIKeyYETIAQVXRARRDI-UHFFFAOYSA-N
XLogP2.65
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine (CID 171097396) is 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine is Cc1cnc(Cl)nc1OCCOc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine?
The InChIKey is YETIAQVXRARRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2/c1-7-5-15-11(13)17-9(7)19-3-4-20-10-8(2)6-16-12(14)18-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine?
2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine has a molecular weight of 315.16 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(2-chloro-5-methylpyrimidin-4-yl)oxyethoxy]-5-methylpyrimidine is sourced from PubChem (CID 171097396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).