2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine

C15H15ClF3N3O — CID 157044456

IUPAC2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine
SMILESCc1cc2c(OCC3CC(C(F)(F)F)C3)nc(Cl)nc2nc1C
InChIInChI=1S/C15H15ClF3N3O/c1-7-3-11-12(20-8(7)2)21-14(16)22-13(11)23-6-9-4-10(5-9)15(17,18)19/h3,9-10H,4-6H2,1-2H3
InChIKeyDZQAROMDBZHVFJ-UHFFFAOYSA-N
MW345.75 g/mol
LogP4.26
Rot. Bonds3

About 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine

2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine (PubChem CID 157044456) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine
PubChem CID157044456
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine
SMILESCc1cc2c(OCC3CC(C(F)(F)F)C3)nc(Cl)nc2nc1C
InChIInChI=1S/C15H15ClF3N3O/c1-7-3-11-12(20-8(7)2)21-14(16)22-13(11)23-6-9-4-10(5-9)15(17,18)19/h3,9-10H,4-6H2,1-2H3
InChIKeyDZQAROMDBZHVFJ-UHFFFAOYSA-N
XLogP4.26
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine (CID 157044456) is 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine is Cc1cc2c(OCC3CC(C(F)(F)F)C3)nc(Cl)nc2nc1C.
What is the InChIKey of 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine?
The InChIKey is DZQAROMDBZHVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c1-7-3-11-12(20-8(7)2)21-14(16)22-13(11)23-6-9-4-10(5-9)15(17,18)19/h3,9-10H,4-6H2,1-2H3.
What are the key properties of 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine?
2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine has a molecular weight of 345.75 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethyl-4-[[3-(trifluoromethyl)cyclobutyl]methoxy]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 157044456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).