(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C14H18ClN3O2 — CID 58405314

IUPAC(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCC[C@@H]1C(=O)Cc2cnc(Cl)nc2N1C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-2-11-12(19)7-9-8-16-14(15)17-13(9)18(11)10-3-5-20-6-4-10/h8,10-11H,2-7H2,1H3/t11-/m1/s1
InChIKeyLVAIXGVYALGXDD-LLVKDONJSA-N
MW295.77 g/mol
LogP2.02
Rot. Bonds2

About (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 58405314) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
PubChem CID58405314
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCC[C@@H]1C(=O)Cc2cnc(Cl)nc2N1C1CCOCC1
InChIInChI=1S/C14H18ClN3O2/c1-2-11-12(19)7-9-8-16-14(15)17-13(9)18(11)10-3-5-20-6-4-10/h8,10-11H,2-7H2,1H3/t11-/m1/s1
InChIKeyLVAIXGVYALGXDD-LLVKDONJSA-N
XLogP2.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
7-chloro-4-ethyl-1-methyl-5-(oxan-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223314
(4R)-7-chloro-4-ethyl-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423187
2-chloro-8-propan-2-yl-7-(2,2,2-trifluoroethyl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 58415666
(7R)-2-chloro-7-ethyl-5-methyl-8-[1-(2-methylpropyl)piperidin-4-yl]-7H-pteridin-6-one
CID 174674584
(7R)-2-chloro-8-(3,3-difluorocyclobutyl)-7-ethyl-5,7-dihydropteridin-6-one
CID 71603032
(6R)-3-chloro-5-cyclopentyl-6-ethyl-6H-imidazo[1,5-f]pteridine
CID 59286705
2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
CID 141313293
(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
3-[(4R)-7-chloro-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]cyclobutan-1-one
CID 87914914
2-chloro-7-cyclopentyl-N,N-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 129292962

Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 58405314) is (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CC[C@@H]1C(=O)Cc2cnc(Cl)nc2N1C1CCOCC1.
What is the InChIKey of (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The InChIKey is LVAIXGVYALGXDD-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-2-11-12(19)7-9-8-16-14(15)17-13(9)18(11)10-3-5-20-6-4-10/h8,10-11H,2-7H2,1H3/t11-/m1/s1.
What are the key properties of (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 295.77 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58405314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).