(5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C8H8ClN3O — CID 86666575

IUPAC(5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(Cl)c21
InChIInChI=1S/C8H8ClN3O/c1-4-2-5(13)12-8-6(4)7(9)10-3-11-8/h3-4H,2H2,1H3,(H,10,11,12,13)/t4-/m1/s1
InChIKeyHGBDGFXWZDTFEB-SCSAIBSYSA-N
MW197.62 g/mol
LogP1.58
Rot. Bonds

About (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

(5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 86666575) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID86666575
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name(5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H]1CC(=O)Nc2ncnc(Cl)c21
InChIInChI=1S/C8H8ClN3O/c1-4-2-5(13)12-8-6(4)7(9)10-3-11-8/h3-4H,2H2,1H3,(H,10,11,12,13)/t4-/m1/s1
InChIKeyHGBDGFXWZDTFEB-SCSAIBSYSA-N
XLogP1.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 86666575) is (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H]1CC(=O)Nc2ncnc(Cl)c21.
What is the InChIKey of (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HGBDGFXWZDTFEB-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c1-4-2-5(13)12-8-6(4)7(9)10-3-11-8/h3-4H,2H2,1H3,(H,10,11,12,13)/t4-/m1/s1.
What are the key properties of (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
(5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 197.62 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-chloro-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 86666575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).