2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one

C9H15N3O — CID 20666330

IUPAC2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1=NC2CCN(C)CC2C(=O)N1
InChIInChI=1S/C9H15N3O/c1-6-10-8-3-4-12(2)5-7(8)9(13)11-6/h7-8H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyXVSTWWQBUCBHMF-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.15
Rot. Bonds

About 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one

2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 20666330) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID20666330
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1=NC2CCN(C)CC2C(=O)N1
InChIInChI=1S/C9H15N3O/c1-6-10-8-3-4-12(2)5-7(8)9(13)11-6/h7-8H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyXVSTWWQBUCBHMF-UHFFFAOYSA-N
XLogP-0.15
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one (CID 20666330) is 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one is CC1=NC2CCN(C)CC2C(=O)N1.
What is the InChIKey of 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XVSTWWQBUCBHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-10-8-3-4-12(2)5-7(8)9(13)11-6/h7-8H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one?
2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 181.24 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 20666330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).