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

C13H15ClF2N4O — CID 58405452

IUPAC(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C13H15ClF2N4O/c1-3-8-11(21)19(2)9-6-17-12(14)18-10(9)20(8)7-4-13(15,16)5-7/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyVPXOCVDXIQJAJM-MRVPVSSYSA-N
MW316.74 g/mol
LogP2.49
Rot. Bonds2

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

(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one (PubChem CID 58405452) has the molecular formula C13H15ClF2N4O and a molecular weight of 316.74 g/mol. Its IUPAC name is (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one
PubChem CID58405452
Molecular FormulaC13H15ClF2N4O
Molecular Weight316.74 g/mol
Exact Mass316.09
IUPAC Name(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one
SMILESCC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C13H15ClF2N4O/c1-3-8-11(21)19(2)9-6-17-12(14)18-10(9)20(8)7-4-13(15,16)5-7/h6-8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyVPXOCVDXIQJAJM-MRVPVSSYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-7,8-Dihydropteridin-6(5h)-One
CID 71739407
(7R)-2-Chloro-7-ethyl-7,8-dihydro-8-(1-methylethyl)-(5H)-6-pteridinone
CID 11572412
(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine
CID 58405561
(R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 24820413
(7R)-2-amino-8-cyclopentyl-5,7-dimethyl-7H-pteridin-6-one
CID 178015415
Pteridine, 8-ethyl-2-ethylamino-5,6,7,8-tetrahydro-7-oxo-
CID 171384841
2-Chloro-9-cyclohexyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one
CID 57955554
2-Chloro-9-cyclopentyl-7,7-difluoro-5-methyl-8,9-dihydro-5H-pyrimido[4,5-B][1,4]diazepin-6(7H)-one
CID 57955574
7-Ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one
CID 58405299
(7S)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405400
(7R)-8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 58405406
(7R)-2-Chloro-8-(3,3-difluorocyclopentyl)-7-ethyl-7,8-dihydro-5-methyl-6(5H)-pteridinone
CID 58405409

Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
The IUPAC name of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one (CID 58405452) is (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
The canonical SMILES for (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one is CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CC(F)(F)C1.
What is the InChIKey of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
The InChIKey is VPXOCVDXIQJAJM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15ClF2N4O/c1-3-8-11(21)19(2)9-6-17-12(14)18-10(9)20(8)7-4-13(15,16)5-7/h6-8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one?
(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one has a molecular weight of 316.74 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5-methyl-7H-pteridin-6-one is sourced from PubChem (CID 58405452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).