8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one

C16H18F2N6O — CID 67369761

IUPAC8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C16H18F2N6O/c1-3-11-14(25)22(2)12-8-20-15(23-5-4-19-9-23)21-13(12)24(11)10-6-16(17,18)7-10/h4-5,8-11H,3,6-7H2,1-2H3
InChIKeyWLVMGSDHIHEZKM-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.02
Rot. Bonds3

About 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one

8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one (PubChem CID 67369761) has the molecular formula C16H18F2N6O and a molecular weight of 348.36 g/mol. Its IUPAC name is 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
PubChem CID67369761
Molecular FormulaC16H18F2N6O
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C16H18F2N6O/c1-3-11-14(25)22(2)12-8-20-15(23-5-4-19-9-23)21-13(12)24(11)10-6-16(17,18)7-10/h4-5,8-11H,3,6-7H2,1-2H3
InChIKeyWLVMGSDHIHEZKM-UHFFFAOYSA-N
XLogP2.02
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
The IUPAC name of 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one (CID 67369761) is 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(-n3ccnc3)nc2N1C1CC(F)(F)C1.
What is the InChIKey of 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
The InChIKey is WLVMGSDHIHEZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N6O/c1-3-11-14(25)22(2)12-8-20-15(23-5-4-19-9-23)21-13(12)24(11)10-6-16(17,18)7-10/h4-5,8-11H,3,6-7H2,1-2H3.
What are the key properties of 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one?
8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one has a molecular weight of 348.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 67369761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).