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

C10H17IN3O2+ — CID 19423347

IUPAC3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide
SMILESCn1c(=O)[nH]c2c(c1=O)C[N+](C)(C)CC2.I
InChIInChI=1S/C10H15N3O2.HI/c1-12-9(14)7-6-13(2,3)5-4-8(7)11-10(12)15;/h4-6H2,1-3H3;1H/p+1
InChIKeyHLAGMTXWUDJAEL-UHFFFAOYSA-O
MW338.17 g/mol
LogP-0.18
Rot. Bonds

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

3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide (PubChem CID 19423347) has the molecular formula C10H17IN3O2+ and a molecular weight of 338.17 g/mol. Its IUPAC name is 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide.

Molecular Properties

Compound Name3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide
PubChem CID19423347
Molecular FormulaC10H17IN3O2+
Molecular Weight338.17 g/mol
Exact Mass338.04
IUPAC Name3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide
SMILESCn1c(=O)[nH]c2c(c1=O)C[N+](C)(C)CC2.I
InChIInChI=1S/C10H15N3O2.HI/c1-12-9(14)7-6-13(2,3)5-4-8(7)11-10(12)15;/h4-6H2,1-3H3;1H/p+1
InChIKeyHLAGMTXWUDJAEL-UHFFFAOYSA-O
XLogP-0.18
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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;hydroiodide?
The IUPAC name of 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide (CID 19423347) is 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide.
What is the SMILES notation for 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide?
The canonical SMILES for 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide is Cn1c(=O)[nH]c2c(c1=O)C[N+](C)(C)CC2.I.
What is the InChIKey of 3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide?
The InChIKey is HLAGMTXWUDJAEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15N3O2.HI/c1-12-9(14)7-6-13(2,3)5-4-8(7)11-10(12)15;/h4-6H2,1-3H3;1H/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;hydroiodide?
3,6,6-trimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-2,4-dione;hydroiodide has a molecular weight of 338.17 g/mol, XLogP of -0.18, 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;hydroiodide is sourced from PubChem (CID 19423347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).