5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C15H22N4O4 — CID 16845281

IUPAC5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1NCC(OC)OC)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H22N4O4/c1-6-9-7-17-13-11(12(9)16-8-10(22-4)23-5)14(20)19(3)15(21)18(13)2/h7,10H,6,8H2,1-5H3,(H,16,17)
InChIKeyFBWJSINRIMZWNQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.23
Rot. Bonds6

About 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845281) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845281
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1NCC(OC)OC)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H22N4O4/c1-6-9-7-17-13-11(12(9)16-8-10(22-4)23-5)14(20)19(3)15(21)18(13)2/h7,10H,6,8H2,1-5H3,(H,16,17)
InChIKeyFBWJSINRIMZWNQ-UHFFFAOYSA-N
XLogP0.23
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(cycloheptylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845292
5-[(2,5-dimethoxy-2H-furan-5-yl)methylamino]-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845308
6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845380
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-methoxyphenyl)acetamide
CID 16840940
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 16840883
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)furan-2-carboxamide
CID 16840961
methyl (2S)-2-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylpropanoate
CID 7424363
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845354
5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845356
2-cyclohexyl-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16840851
5-[bis(2-methoxyethyl)amino]-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845239

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845281) is 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1NCC(OC)OC)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FBWJSINRIMZWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-6-9-7-17-13-11(12(9)16-8-10(22-4)23-5)14(20)19(3)15(21)18(13)2/h7,10H,6,8H2,1-5H3,(H,16,17).
What are the key properties of 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 322.37 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).