2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

C14H10Cl2N4O2S2 — CID 161314722

IUPAC2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc2[nH]c(=O)[nH]c(=O)c2s1.Cc1cc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C7H4Cl2N2S.C7H6N2O2S/c1-3-2-4-5(12-3)6(8)11-7(9)10-4;1-3-2-4-5(12-3)6(10)9-7(11)8-4/h2H,1H3;2H,1H3,(H2,8,9,10,11)
InChIKeyVJIQQOJEXAIMSL-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.89
Rot. Bonds

About 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 161314722) has the molecular formula C14H10Cl2N4O2S2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID161314722
Molecular FormulaC14H10Cl2N4O2S2
Molecular Weight401.30 g/mol
Exact Mass399.96
IUPAC Name2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc2[nH]c(=O)[nH]c(=O)c2s1.Cc1cc2nc(Cl)nc(Cl)c2s1
InChIInChI=1S/C7H4Cl2N2S.C7H6N2O2S/c1-3-2-4-5(12-3)6(8)11-7(9)10-4;1-3-2-4-5(12-3)6(10)9-7(11)8-4/h2H,1H3;2H,1H3,(H2,8,9,10,11)
InChIKeyVJIQQOJEXAIMSL-UHFFFAOYSA-N
XLogP3.89
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichlorothieno[3,2-d]pyrimidine;phosphoryl trichloride;1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 162242288
6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 149193919
4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one
CID 25152004
2,4-dichloro-5,6-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidine-2,4-dione
CID 158205893
ethane;7-hydroxy-2-methyl-4H-thieno[3,2-b]pyridin-5-one
CID 162759779
6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 144579589
3,7-dichloro-1H-quinoxalin-2-one
CID 131843116
2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 136597140
5,7-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 5410048
11-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
CID 42647869
4,5-bis(2,5-dimethylthiophen-3-yl)-1,3-dihydroimidazol-2-one
CID 5303533
methyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate;methyl 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 158349743

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 161314722) is 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1cc2[nH]c(=O)[nH]c(=O)c2s1.Cc1cc2nc(Cl)nc(Cl)c2s1.
What is the InChIKey of 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is VJIQQOJEXAIMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S.C7H6N2O2S/c1-3-2-4-5(12-3)6(8)11-7(9)10-4;1-3-2-4-5(12-3)6(10)9-7(11)8-4/h2H,1H3;2H,1H3,(H2,8,9,10,11).
What are the key properties of 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 401.30 g/mol, XLogP of 3.89, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methylthieno[3,2-d]pyrimidine;6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 161314722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).