4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine

C16H19ClN2 — CID 55132630

IUPAC4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine
SMILESCc1nc(CCc2ccccc2)nc(Cl)c1C(C)C
InChIInChI=1S/C16H19ClN2/c1-11(2)15-12(3)18-14(19-16(15)17)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyRKQIQPIYMNMRCJ-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.35
Rot. Bonds4

About 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine

4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine (PubChem CID 55132630) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine
PubChem CID55132630
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC Name4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine
SMILESCc1nc(CCc2ccccc2)nc(Cl)c1C(C)C
InChIInChI=1S/C16H19ClN2/c1-11(2)15-12(3)18-14(19-16(15)17)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3
InChIKeyRKQIQPIYMNMRCJ-UHFFFAOYSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine (CID 55132630) is 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine is Cc1nc(CCc2ccccc2)nc(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine?
The InChIKey is RKQIQPIYMNMRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11(2)15-12(3)18-14(19-16(15)17)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine?
4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine has a molecular weight of 274.79 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(2-phenylethyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 55132630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).