2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine

C13H11Cl3N4 — CID 144818047

IUPAC2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine
SMILESCc1nc(Cl)cc([C@@H]2CCC2c2cc(Cl)nc(Cl)n2)n1
InChIInChI=1S/C13H11Cl3N4/c1-6-17-9(4-11(14)18-6)7-2-3-8(7)10-5-12(15)20-13(16)19-10/h4-5,7-8H,2-3H2,1H3/t7-,8?/m1/s1
InChIKeyMLVKJVTUBOXOFH-GVHYBUMESA-N
MW329.62 g/mol
LogP4.20
Rot. Bonds2

About 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine

2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine (PubChem CID 144818047) has the molecular formula C13H11Cl3N4 and a molecular weight of 329.62 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine
PubChem CID144818047
Molecular FormulaC13H11Cl3N4
Molecular Weight329.62 g/mol
Exact Mass328.00
IUPAC Name2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine
SMILESCc1nc(Cl)cc([C@@H]2CCC2c2cc(Cl)nc(Cl)n2)n1
InChIInChI=1S/C13H11Cl3N4/c1-6-17-9(4-11(14)18-6)7-2-3-8(7)10-5-12(15)20-13(16)19-10/h4-5,7-8H,2-3H2,1H3/t7-,8?/m1/s1
InChIKeyMLVKJVTUBOXOFH-GVHYBUMESA-N
XLogP4.20
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine (CID 144818047) is 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine is Cc1nc(Cl)cc([C@@H]2CCC2c2cc(Cl)nc(Cl)n2)n1.
What is the InChIKey of 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine?
The InChIKey is MLVKJVTUBOXOFH-GVHYBUMESA-N. The full InChI is InChI=1S/C13H11Cl3N4/c1-6-17-9(4-11(14)18-6)7-2-3-8(7)10-5-12(15)20-13(16)19-10/h4-5,7-8H,2-3H2,1H3/t7-,8?/m1/s1.
What are the key properties of 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine?
2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine has a molecular weight of 329.62 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2R)-2-(6-chloro-2-methylpyrimidin-4-yl)cyclobutyl]pyrimidine is sourced from PubChem (CID 144818047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).