7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C9H17N3O — CID 18685005

IUPAC7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCN1CCC2CNC(=O)NC2(C)C1
InChIInChI=1S/C9H17N3O/c1-9-6-12(2)4-3-7(9)5-10-8(13)11-9/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyZRBQHSJUAHDJMX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.01
Rot. Bonds

About 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one

7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 18685005) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID18685005
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESCN1CCC2CNC(=O)NC2(C)C1
InChIInChI=1S/C9H17N3O/c1-9-6-12(2)4-3-7(9)5-10-8(13)11-9/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeyZRBQHSJUAHDJMX-UHFFFAOYSA-N
XLogP0.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one with MolForge

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Related Compounds

rac-(4aR,8aS)-decahydropyrido[3,4-d]pyrimidin-2-one
CID 165987862
1-[3-(4-Methylpiperidin-1-yl)propyl]-1,3-diazinan-2-one
CID 44374263
4-Methylpiperidyl piperazinyl ketone
CID 16637244
2,2-Di(propan-2-yl)piperazine-1-carboxamide
CID 17975836
1-(4-Methylpiperidin-4-yl)-1,3-diazinan-2-one
CID 18314272
1,3,7,8a-tetramethyl-4a,5,6,8-tetrahydro-4H-pyrido[3,4-d]pyrimidin-2-one
CID 18684996
1,3,8a-Trimethyl-4,4a,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-2-one
CID 18685039
1,3,4a-Trimethyl-4,5,6,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-2-one
CID 22972813
(4-Tert-butylpiperidin-1-yl)-piperazin-1-ylmethanone
CID 55032531
9-Methyl-1,3,9-triazaspiro[5.5]undecan-2-one
CID 58984551
N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 59542501
4-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 59548482

Frequently Asked Questions

What is the IUPAC name of 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 18685005) is 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one is CN1CCC2CNC(=O)NC2(C)C1.
What is the InChIKey of 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is ZRBQHSJUAHDJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9-6-12(2)4-3-7(9)5-10-8(13)11-9/h7H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8a-dimethyl-3,4,4a,5,6,8-hexahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 18685005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).