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

C17H16Cl2N4O2 — CID 16845354

IUPAC5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1cc(Cl)ccc1Cl)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H16Cl2N4O2/c1-4-9-8-20-15-13(16(24)23(3)17(25)22(15)2)14(9)21-12-7-10(18)5-6-11(12)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyYKBPZGWMMCAVQM-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.24
Rot. Bonds3

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

5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845354) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845354
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCc1cnc2c(c1Nc1cc(Cl)ccc1Cl)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H16Cl2N4O2/c1-4-9-8-20-15-13(16(24)23(3)17(25)22(15)2)14(9)21-12-7-10(18)5-6-11(12)19/h5-8H,4H2,1-3H3,(H,20,21)
InChIKeyYKBPZGWMMCAVQM-UHFFFAOYSA-N
XLogP3.24
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-difluoroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845356
6-ethyl-1,3-dimethyl-5-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845380
5-(3-acetylanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845344
5-(1H-benzimidazol-2-ylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845418
1-(4-chlorophenyl)-N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)cyclopentane-1-carboxamide
CID 16840955
5-(cycloheptylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845292
5-(3-chloro-2-methylanilino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845183
5-(2,2-dimethoxyethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845281
5-bromo-6-chloro-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114764119
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
N-(6-ethyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-4-nitrobenzamide
CID 16840904

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845354) is 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCc1cnc2c(c1Nc1cc(Cl)ccc1Cl)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YKBPZGWMMCAVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-4-9-8-20-15-13(16(24)23(3)17(25)22(15)2)14(9)21-12-7-10(18)5-6-11(12)19/h5-8H,4H2,1-3H3,(H,20,21).
What are the key properties of 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 379.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloroanilino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).