2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C8H8ClN3O2 — CID 172576412

IUPAC2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(Cl)nc2c1C(=O)NCC2
InChIInChI=1S/C8H8ClN3O2/c1-14-7-5-4(11-8(9)12-7)2-3-10-6(5)13/h2-3H2,1H3,(H,10,13)
InChIKeyDKMRZGPTWRRJGW-UHFFFAOYSA-N
MW213.62 g/mol
LogP0.42
Rot. Bonds1

About 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 172576412) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID172576412
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1nc(Cl)nc2c1C(=O)NCC2
InChIInChI=1S/C8H8ClN3O2/c1-14-7-5-4(11-8(9)12-7)2-3-10-6(5)13/h2-3H2,1H3,(H,10,13)
InChIKeyDKMRZGPTWRRJGW-UHFFFAOYSA-N
XLogP0.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidinehydrochloride
CID 155820520
4-ethoxy-2-fluoro-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576452
2-fluoro-4-methylsulfanyloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576493
(3E)-1-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-[[(1-methylcyclopropyl)amino]-(methylideneamino)methylidene]-2-propan-2-ylidenepentan-1-one
CID 138665643
(5S)-5-[(2-chloro-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 156822300
5-[(2-chloro-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrolidin-2-one
CID 166692681
2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576399
2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;ethane
CID 172576411
2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576431
2-chloro-4-ethoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576494
2-chloro-4-ethenoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576513
2,4-Dimethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83668191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 172576412) is 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1nc(Cl)nc2c1C(=O)NCC2.
What is the InChIKey of 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is DKMRZGPTWRRJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c1-14-7-5-4(11-8(9)12-7)2-3-10-6(5)13/h2-3H2,1H3,(H,10,13).
What are the key properties of 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 213.62 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).