(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one

C12H13ClF2N4O — CID 71603032

IUPAC(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one
SMILESCC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C12H13ClF2N4O/c1-2-8-10(20)17-7-5-16-11(13)18-9(7)19(8)6-3-12(14,15)4-6/h5-6,8H,2-4H2,1H3,(H,17,20)/t8-/m1/s1
InChIKeyIGEYBJRCMDZPAH-MRVPVSSYSA-N
MW302.71 g/mol
LogP2.46
Rot. Bonds2

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

(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one (PubChem CID 71603032) has the molecular formula C12H13ClF2N4O and a molecular weight of 302.71 g/mol. Its IUPAC name is (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one
PubChem CID71603032
Molecular FormulaC12H13ClF2N4O
Molecular Weight302.71 g/mol
Exact Mass302.07
IUPAC Name(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one
SMILESCC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C1CC(F)(F)C1
InChIInChI=1S/C12H13ClF2N4O/c1-2-8-10(20)17-7-5-16-11(13)18-9(7)19(8)6-3-12(14,15)4-6/h5-6,8H,2-4H2,1H3,(H,17,20)/t8-/m1/s1
InChIKeyIGEYBJRCMDZPAH-MRVPVSSYSA-N
XLogP2.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7S)-2-chloro-7-ethyl-8-methyl-5,7-dihydropteridin-6-one
CID 146195195
8-cyclopentyl-7-ethyl-2-(2-phenylacetyl)-5,7-dihydropteridin-6-one
CID 123541097
(7R)-8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 58405406
(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 58405314
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
2-chloro-8-[(1R)-3,3-difluorocyclopentyl]-7-ethyl-5-methyl-6,7-dihydropteridine-6-carbaldehyde
CID 174623114
(7R)-2-chloro-7-ethyl-8-propan-2-yl-5,7-dihydropteridin-6-one;ethyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)-propan-2-ylamino]butanoate
CID 158495167
(7R)-2-chloro-7-ethyl-5-methyl-8-[1-(2-methylpropyl)piperidin-4-yl]-7H-pteridin-6-one
CID 174674584
3-[(4R)-7-chloro-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-one
CID 87914914
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]-3-ethylpiperazine-2,6-dione
CID 80851228
(6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine
CID 59286705

Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one?
The IUPAC name of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one (CID 71603032) is (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one.
What is the SMILES notation for (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one?
The canonical SMILES for (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one is CC[C@@H]1C(=O)Nc2cnc(Cl)nc2N1C1CC(F)(F)C1.
What is the InChIKey of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one?
The InChIKey is IGEYBJRCMDZPAH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13ClF2N4O/c1-2-8-10(20)17-7-5-16-11(13)18-9(7)19(8)6-3-12(14,15)4-6/h5-6,8H,2-4H2,1H3,(H,17,20)/t8-/m1/s1.
What are the key properties of (7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one?
(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one has a molecular weight of 302.71 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 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-5,7-dihydropteridin-6-one is sourced from PubChem (CID 71603032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).