4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine

C20H24ClN3 — CID 54233567

IUPAC4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
SMILESCCc1c(CC)n(-c2c(C)cc(C)cc2C)c2nc(C)nc(Cl)c12
InChIInChI=1S/C20H24ClN3/c1-7-15-16(8-2)24(18-12(4)9-11(3)10-13(18)5)20-17(15)19(21)22-14(6)23-20/h9-10H,7-8H2,1-6H3
InChIKeyQKYSLPLEZSETGP-UHFFFAOYSA-N
MW341.89 g/mol
LogP5.43
Rot. Bonds3

About 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine

4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 54233567) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
PubChem CID54233567
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
SMILESCCc1c(CC)n(-c2c(C)cc(C)cc2C)c2nc(C)nc(Cl)c12
InChIInChI=1S/C20H24ClN3/c1-7-15-16(8-2)24(18-12(4)9-11(3)10-13(18)5)20-17(15)19(21)22-14(6)23-20/h9-10H,7-8H2,1-6H3
InChIKeyQKYSLPLEZSETGP-UHFFFAOYSA-N
XLogP5.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.89
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine (CID 54233567) is 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine is CCc1c(CC)n(-c2c(C)cc(C)cc2C)c2nc(C)nc(Cl)c12.
What is the InChIKey of 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is QKYSLPLEZSETGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c1-7-15-16(8-2)24(18-12(4)9-11(3)10-13(18)5)20-17(15)19(21)22-14(6)23-20/h9-10H,7-8H2,1-6H3.
What are the key properties of 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 341.89 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-diethyl-2-methyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 54233567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).