4,6-dichloro-2-cycloundecylpyrimidine

C15H22Cl2N2 — CID 123163685

IUPAC4,6-dichloro-2-cycloundecylpyrimidine
SMILESClc1cc(Cl)nc(C2CCCCCCCCCC2)n1
InChIInChI=1S/C15H22Cl2N2/c16-13-11-14(17)19-15(18-13)12-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKeyXWEOXVRQTCCNIM-UHFFFAOYSA-N
MW301.26 g/mol
LogP5.78
Rot. Bonds1

About 4,6-dichloro-2-cycloundecylpyrimidine

4,6-dichloro-2-cycloundecylpyrimidine (PubChem CID 123163685) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is 4,6-dichloro-2-cycloundecylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-cycloundecylpyrimidine
PubChem CID123163685
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC Name4,6-dichloro-2-cycloundecylpyrimidine
SMILESClc1cc(Cl)nc(C2CCCCCCCCCC2)n1
InChIInChI=1S/C15H22Cl2N2/c16-13-11-14(17)19-15(18-13)12-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKeyXWEOXVRQTCCNIM-UHFFFAOYSA-N
XLogP5.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 55.78
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-cycloundecylpyrimidine?
The IUPAC name of 4,6-dichloro-2-cycloundecylpyrimidine (CID 123163685) is 4,6-dichloro-2-cycloundecylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-cycloundecylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-cycloundecylpyrimidine is Clc1cc(Cl)nc(C2CCCCCCCCCC2)n1.
What is the InChIKey of 4,6-dichloro-2-cycloundecylpyrimidine?
The InChIKey is XWEOXVRQTCCNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c16-13-11-14(17)19-15(18-13)12-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2.
What are the key properties of 4,6-dichloro-2-cycloundecylpyrimidine?
4,6-dichloro-2-cycloundecylpyrimidine has a molecular weight of 301.26 g/mol, XLogP of 5.78, 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-cycloundecylpyrimidine is sourced from PubChem (CID 123163685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).