3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione

C10H16N3O2+ — CID 19423348

IUPAC3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)C[N+](C)(C)CC2
InChIInChI=1S/C10H15N3O2/c1-12-9(14)7-6-13(2,3)5-4-8(7)11-10(12)15/h4-6H2,1-3H3/p+1
InChIKeyRLTLYEZFFRNVCZ-UHFFFAOYSA-O
MW210.26 g/mol
LogP-0.79
Rot. Bonds

About 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione

3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione (PubChem CID 19423348) has the molecular formula C10H16N3O2+ and a molecular weight of 210.26 g/mol. Its IUPAC name is 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione.

Molecular Properties

Compound Name3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione
PubChem CID19423348
Molecular FormulaC10H16N3O2+
Molecular Weight210.26 g/mol
Exact Mass210.12
IUPAC Name3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)C[N+](C)(C)CC2
InChIInChI=1S/C10H15N3O2/c1-12-9(14)7-6-13(2,3)5-4-8(7)11-10(12)15/h4-6H2,1-3H3/p+1
InChIKeyRLTLYEZFFRNVCZ-UHFFFAOYSA-O
XLogP-0.79
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione?
The IUPAC name of 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione (CID 19423348) is 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione.
What is the SMILES notation for 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione?
The canonical SMILES for 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione is Cn1c(=O)[nH]c2c(c1=O)C[N+](C)(C)CC2.
What is the InChIKey of 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione?
The InChIKey is RLTLYEZFFRNVCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15N3O2/c1-12-9(14)7-6-13(2,3)5-4-8(7)11-10(12)15/h4-6H2,1-3H3/p+1.
What are the key properties of 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione?
3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione has a molecular weight of 210.26 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione is sourced from PubChem (CID 19423348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).