5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C17H18N4O2 — CID 16845489

IUPAC5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCN(c1ccccc1)c1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18N4O2/c1-4-21(12-8-6-5-7-9-12)13-10-11-18-15-14(13)16(22)20(3)17(23)19(15)2/h5-11H,4H2,1-3H3
InChIKeyAHSNUXLHZAEDRN-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.79
Rot. Bonds3

About 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845489) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845489
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCN(c1ccccc1)c1ccnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18N4O2/c1-4-21(12-8-6-5-7-9-12)13-10-11-18-15-14(13)16(22)20(3)17(23)19(15)2/h5-11H,4H2,1-3H3
InChIKeyAHSNUXLHZAEDRN-UHFFFAOYSA-N
XLogP1.79
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2826307
1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845484
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519
5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261
1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16811071
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
5-benzylsulfanyl-1,3-dimethyl-6-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 26844332
1,3-dimethyl-5-(2-morpholin-4-ylethylsulfanyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16813118
1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845539
1,3-dimethyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 7424472
1-benzyl-3-methyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 19071382
N-ethyl-1-methyl-2-oxo-N-phenyl-1,8-naphthyridine-3-carboxamide
CID 18582865

Frequently Asked Questions

What is the IUPAC name of 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845489) is 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCN(c1ccccc1)c1ccnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is AHSNUXLHZAEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-21(12-8-6-5-7-9-12)13-10-11-18-15-14(13)16(22)20(3)17(23)19(15)2/h5-11H,4H2,1-3H3.
What are the key properties of 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 310.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethylanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).