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

C10H12ClN3O2 — CID 172576431

IUPAC2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCC(C)Oc1nc(Cl)nc2c1C(=O)NCC2
InChIInChI=1S/C10H12ClN3O2/c1-5(2)16-9-7-6(13-10(11)14-9)3-4-12-8(7)15/h5H,3-4H2,1-2H3,(H,12,15)
InChIKeyQYPVJORYAJFGPI-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.20
Rot. Bonds2

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

2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 172576431) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID172576431
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCC(C)Oc1nc(Cl)nc2c1C(=O)NCC2
InChIInChI=1S/C10H12ClN3O2/c1-5(2)16-9-7-6(13-10(11)14-9)3-4-12-8(7)15/h5H,3-4H2,1-2H3,(H,12,15)
InChIKeyQYPVJORYAJFGPI-UHFFFAOYSA-N
XLogP1.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576404
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
2-Chloro-4-(3-methoxypropoxy)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 89400112
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90868625
2-methyl-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 172576399
2-Chloro-4-ethoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576401
2-chloro-4-methoxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one;ethane
CID 172576411
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-Chloro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 172576431) is 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is CC(C)Oc1nc(Cl)nc2c1C(=O)NCC2.
What is the InChIKey of 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is QYPVJORYAJFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-5(2)16-9-7-6(13-10(11)14-9)3-4-12-8(7)15/h5H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?
2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 241.68 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-yloxy-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 172576431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).