5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione

C11H14N4O2 — CID 14350421

IUPAC5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(N)nccc2n(CC)c1=O
InChIInChI=1S/C11H14N4O2/c1-3-14-7-5-6-13-9(12)8(7)10(16)15(4-2)11(14)17/h5-6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyITJOVJQYJMXXBT-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.18
Rot. Bonds2

About 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione

5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 14350421) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID14350421
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2c(N)nccc2n(CC)c1=O
InChIInChI=1S/C11H14N4O2/c1-3-14-7-5-6-13-9(12)8(7)10(16)15(4-2)11(14)17/h5-6H,3-4H2,1-2H3,(H2,12,13)
InChIKeyITJOVJQYJMXXBT-UHFFFAOYSA-N
XLogP0.18
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-1,3-diethylpyrido[3,2-d]pyrimidine-2,4-dione
CID 118658299
1-methylpyrazolo[4,3-c]pyridine-3,4-diamine
CID 144514733
6-(aminomethyl)-1-ethylpyrimidin-2-one
CID 83851763
6-amino-1-ethyl-3-methylquinazoline-2,4-dione
CID 82372186
1,3-dimethylpyrrolo[3,2-c]pyridin-4-amine;propane
CID 158248521
5,6-diamino-1,3-diethylpyrimidine-2,4-dione;methane
CID 155804930
1-ethyl-6-methylpyrimidin-2-one
CID 77491063
3-(4-aminopyrimidin-2-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 116798257
7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione
CID 82465662
10-methyl-6-propylpyrido[3,2-c][1,6]naphthyridin-5-one
CID 101205318
3-ethyl-1-(2-sulfanylethyl)quinazoline-2,4-dione
CID 22507021
methyl 1,3-diethyl-2,4-dioxoquinazoline-6-carboxylate
CID 118658750

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione (CID 14350421) is 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2c(N)nccc2n(CC)c1=O.
What is the InChIKey of 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is ITJOVJQYJMXXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-14-7-5-6-13-9(12)8(7)10(16)15(4-2)11(14)17/h5-6H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione?
5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-diethylpyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 14350421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).