2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine

C14H14ClF2N3O — CID 157045705

IUPAC2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCc1cc2c(OCC3CC(F)(F)C3)nc(Cl)nc2nc1C
InChIInChI=1S/C14H14ClF2N3O/c1-7-3-10-11(18-8(7)2)19-13(15)20-12(10)21-6-9-4-14(16,17)5-9/h3,9H,4-6H2,1-2H3
InChIKeyFONPIHALAAUNHN-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine

2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine (PubChem CID 157045705) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine
PubChem CID157045705
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine
SMILESCc1cc2c(OCC3CC(F)(F)C3)nc(Cl)nc2nc1C
InChIInChI=1S/C14H14ClF2N3O/c1-7-3-10-11(18-8(7)2)19-13(15)20-12(10)21-6-9-4-14(16,17)5-9/h3,9H,4-6H2,1-2H3
InChIKeyFONPIHALAAUNHN-UHFFFAOYSA-N
XLogP3.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine (CID 157045705) is 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine is Cc1cc2c(OCC3CC(F)(F)C3)nc(Cl)nc2nc1C.
What is the InChIKey of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine?
The InChIKey is FONPIHALAAUNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c1-7-3-10-11(18-8(7)2)19-13(15)20-12(10)21-6-9-4-14(16,17)5-9/h3,9H,4-6H2,1-2H3.
What are the key properties of 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine?
2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine has a molecular weight of 313.74 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3,3-difluorocyclobutyl)methoxy]-6,7-dimethylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 157045705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).