3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride

C9H14ClN3O2 — CID 19423354

IUPAC3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCN1CCc2[nH]c(=O)n(C)c(=O)c2C1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7;/h3-5H2,1-2H3,(H,10,14);1H
InChIKeyVRTQRAKOMFPXJS-UHFFFAOYSA-N
MW231.68 g/mol
LogP-0.52
Rot. Bonds

About 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride

3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 19423354) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID19423354
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCN1CCc2[nH]c(=O)n(C)c(=O)c2C1.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7;/h3-5H2,1-2H3,(H,10,14);1H
InChIKeyVRTQRAKOMFPXJS-UHFFFAOYSA-N
XLogP-0.52
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride (CID 19423354) is 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride is CN1CCc2[nH]c(=O)n(C)c(=O)c2C1.Cl.
What is the InChIKey of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is VRTQRAKOMFPXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7;/h3-5H2,1-2H3,(H,10,14);1H.
What are the key properties of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 19423354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).