4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine

C15H15ClN2 — CID 107925396

IUPAC4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine
SMILESCC1(C)CC1c1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C15H15ClN2/c1-15(2)9-11(15)14-17-12(8-13(16)18-14)10-6-4-3-5-7-10/h3-8,11H,9H2,1-2H3
InChIKeyUAKBNJQUBHZKTF-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.31
Rot. Bonds2

About 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine

4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine (PubChem CID 107925396) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine
PubChem CID107925396
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine
SMILESCC1(C)CC1c1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C15H15ClN2/c1-15(2)9-11(15)14-17-12(8-13(16)18-14)10-6-4-3-5-7-10/h3-8,11H,9H2,1-2H3
InChIKeyUAKBNJQUBHZKTF-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
CID 65422322
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine
CID 82461273
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
1-(4-chloro-6-phenylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078383
4-chloro-2-(3-chlorophenyl)-6-(4-phenylphenyl)pyrimidine
CID 171832705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine (CID 107925396) is 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine is CC1(C)CC1c1nc(Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine?
The InChIKey is UAKBNJQUBHZKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-15(2)9-11(15)14-17-12(8-13(16)18-14)10-6-4-3-5-7-10/h3-8,11H,9H2,1-2H3.
What are the key properties of 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine?
4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine has a molecular weight of 258.75 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine is sourced from PubChem (CID 107925396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).