7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C13H11Cl2N3O3S — CID 155959973

IUPAC7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCc1c(Cl)sc(Cl)c1C(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H11Cl2N3O3S/c1-5-8(10(15)22-9(5)14)12(20)18-3-2-6-7(4-18)16-13(21)17-11(6)19/h2-4H2,1H3,(H2,16,17,19,21)
InChIKeyULFAUZHEBURGJA-UHFFFAOYSA-N
MW360.22 g/mol
LogP1.94
Rot. Bonds1

About 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 155959973) has the molecular formula C13H11Cl2N3O3S and a molecular weight of 360.22 g/mol. Its IUPAC name is 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID155959973
Molecular FormulaC13H11Cl2N3O3S
Molecular Weight360.22 g/mol
Exact Mass358.99
IUPAC Name7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCc1c(Cl)sc(Cl)c1C(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C13H11Cl2N3O3S/c1-5-8(10(15)22-9(5)14)12(20)18-3-2-6-7(4-18)16-13(21)17-11(6)19/h2-4H2,1H3,(H2,16,17,19,21)
InChIKeyULFAUZHEBURGJA-UHFFFAOYSA-N
XLogP1.94
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 58523931
7-(3,4-dihydro-1H-isochromene-8-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958907
7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958921
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
CID 166288184
N-[1-(2-bicyclo[2.2.1]heptanyl)propyl]-2,4-dioxo-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxamide
CID 167745162
7-[1-(oxolan-3-yl)azetidine-3-carbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958909
tert-butyl 2,4-dioxo-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 11499967
1-[2,4-dimethyl-5-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 146123223
7-(3-isoquinolin-4-yl-2-methylpropanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 155958916
(6-chloro-7-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3-chlorophenyl)methanone
CID 159614505
7-[2-[3-(trifluoromethoxy)phenyl]acetyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 167856689
7-[2,2-difluoro-4-[4-(1-hydroxy-3-methylbutyl)triazol-1-yl]butanoyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 167915677

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 155959973) is 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is Cc1c(Cl)sc(Cl)c1C(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is ULFAUZHEBURGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3S/c1-5-8(10(15)22-9(5)14)12(20)18-3-2-6-7(4-18)16-13(21)17-11(6)19/h2-4H2,1H3,(H2,16,17,19,21).
What are the key properties of 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 360.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dichloro-4-methylthiophene-3-carbonyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155959973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).