7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H23N5O3 — CID 122147903

IUPAC7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CC(C)NC(C)C2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H23N5O3/c1-9-6-12(15(23)22-7-10(2)18-11(3)8-22)19-14-13(9)16(24)21(5)17(25)20(14)4/h6,10-11,18H,7-8H2,1-5H3
InChIKeyAJAZVYXOBRGXCR-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.24
Rot. Bonds1

About 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 122147903) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID122147903
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CC(C)NC(C)C2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H23N5O3/c1-9-6-12(15(23)22-7-10(2)18-11(3)8-22)19-14-13(9)16(24)21(5)17(25)20(14)4/h6,10-11,18H,7-8H2,1-5H3
InChIKeyAJAZVYXOBRGXCR-UHFFFAOYSA-N
XLogP-0.24
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

N,1,3,5-tetramethyl-2,4-dioxo-N-piperidin-4-ylpyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119441526
1,3,5-trimethyl-2,4-dioxo-N-piperidin-3-ylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 119424751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 120946354
N-(3-aminobutyl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119495332
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341
N-[1-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 166201771
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 120883227
N-(1-amino-2,4-dimethylpentan-2-yl)-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119597741
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
[6-(4-chloro-3-methylphenyl)pyrimidin-4-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 144544678

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 122147903) is 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cc1cc(C(=O)N2CC(C)NC(C)C2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AJAZVYXOBRGXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-9-6-12(15(23)22-7-10(2)18-11(3)8-22)19-14-13(9)16(24)21(5)17(25)20(14)4/h6,10-11,18H,7-8H2,1-5H3.
What are the key properties of 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperazine-1-carbonyl)-1,3,5-trimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122147903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).