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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Related Compounds

4-chloro-2-cycloheptyl-6-cyclopentylpyrimidine
CID 113390255
6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463215
4-chloro-2-cyclooctyl-6-propylpyrimidine
CID 80602535
4-chloro-2-cyclooctyl-6-(2-methylpropyl)pyrimidine
CID 80603227
4-chloro-6-cyclohexyloxy-2-cyclopropylpyrimidine
CID 80948330
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
2-chloro-4-cyclooctyl-6-cycloundecyl-1,3,5-triazine
CID 146635331
5-chloro-3-cyclohexyl-1,2,4-triazine
CID 116823809
4-tert-butyl-6-chloro-2-cyclobutylpyrimidine
CID 64982449
N-benzyl-6-chloro-2-cyclohexylpyrimidin-4-amine
CID 82463214
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine
CID 82994870

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).