5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C12H13N5O2S — CID 16845547

IUPAC5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(NC3=NCCS3)ccnc2n(C)c1=O
InChIInChI=1S/C12H13N5O2S/c1-16-9-8(10(18)17(2)12(16)19)7(3-4-13-9)15-11-14-5-6-20-11/h3-4H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyJIUPOBLLZZFYDJ-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.15
Rot. Bonds1

About 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 16845547) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID16845547
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC Name5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(NC3=NCCS3)ccnc2n(C)c1=O
InChIInChI=1S/C12H13N5O2S/c1-16-9-8(10(18)17(2)12(16)19)7(3-4-13-9)15-11-14-5-6-20-11/h3-4H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyJIUPOBLLZZFYDJ-UHFFFAOYSA-N
XLogP0.15
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-(2-fluoroanilino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 42475261
1,3-dimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845554
1,3-dimethyl-5-(pyridin-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845539
4-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 42475324
5-(2-hydroxyethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 14304689
5-(1H-benzimidazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16845574
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-thiophen-2-ylacetamide
CID 16841396
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
CID 16841389
2-(4-chlorophenyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
CID 16841390
1,3-dimethyl-5-(4-phenylbutan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845484
1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2826307
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 16845547) is 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(NC3=NCCS3)ccnc2n(C)c1=O.
What is the InChIKey of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JIUPOBLLZZFYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-16-9-8(10(18)17(2)12(16)19)7(3-4-13-9)15-11-14-5-6-20-11/h3-4H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 291.34 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16845547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).