3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride

C8H12ClN3O2 — CID 19423346

IUPAC3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C8H11N3O2.ClH/c1-11-7(12)5-4-9-3-2-6(5)10-8(11)13;/h9H,2-4H2,1H3,(H,10,13);1H
InChIKeyUGRBPPJKSCHXDL-UHFFFAOYSA-N
MW217.66 g/mol
LogP-0.86
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride

3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 19423346) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID19423346
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2c(c1=O)CNCC2
InChIInChI=1S/C8H11N3O2.ClH/c1-11-7(12)5-4-9-3-2-6(5)10-8(11)13;/h9H,2-4H2,1H3,(H,10,13);1H
InChIKeyUGRBPPJKSCHXDL-UHFFFAOYSA-N
XLogP-0.86
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride (CID 19423346) is 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(=O)[nH]c2c(c1=O)CNCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is UGRBPPJKSCHXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-11-7(12)5-4-9-3-2-6(5)10-8(11)13;/h9H,2-4H2,1H3,(H,10,13);1H.
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride?
3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of -0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 19423346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).