(7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one

C13H16ClFN4O — CID 58405575

IUPAC(7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CC(F)C1
InChIInChI=1S/C13H16ClFN4O/c1-3-9-12(20)18(2)10-6-16-13(14)17-11(10)19(9)8-4-7(15)5-8/h6-9H,3-5H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyRCKYEEQUILQMRI-AMDVSUOASA-N
MW298.75 g/mol
LogP2.19
Rot. Bonds2

About (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one

(7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one (PubChem CID 58405575) has the molecular formula C13H16ClFN4O and a molecular weight of 298.75 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one
PubChem CID58405575
Molecular FormulaC13H16ClFN4O
Molecular Weight298.75 g/mol
Exact Mass298.10
IUPAC Name(7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CC(F)C1
InChIInChI=1S/C13H16ClFN4O/c1-3-9-12(20)18(2)10-6-16-13(14)17-11(10)19(9)8-4-7(15)5-8/h6-9H,3-5H2,1-2H3/t7?,8?,9-/m1/s1
InChIKeyRCKYEEQUILQMRI-AMDVSUOASA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one (CID 58405575) is (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CC(F)C1.
What is the InChIKey of (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one?
The InChIKey is RCKYEEQUILQMRI-AMDVSUOASA-N. The full InChI is InChI=1S/C13H16ClFN4O/c1-3-9-12(20)18(2)10-6-16-13(14)17-11(10)19(9)8-4-7(15)5-8/h6-9H,3-5H2,1-2H3/t7?,8?,9-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one?
(7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one has a molecular weight of 298.75 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-8-(3-fluorocyclobutyl)-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 58405575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).