3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione

C18H17N5O2S — CID 72894637

IUPAC3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione
SMILESCc1sc2ncnc(NCCn3[nH]c(=O)c4ccccc4c3=O)c2c1C
InChIInChI=1S/C18H17N5O2S/c1-10-11(2)26-17-14(10)15(20-9-21-17)19-7-8-23-18(25)13-6-4-3-5-12(13)16(24)22-23/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,19,20,21)
InChIKeyZSICXHFTFWMUIK-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.42
Rot. Bonds4

About 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione

3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione (PubChem CID 72894637) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione
PubChem CID72894637
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione
SMILESCc1sc2ncnc(NCCn3[nH]c(=O)c4ccccc4c3=O)c2c1C
InChIInChI=1S/C18H17N5O2S/c1-10-11(2)26-17-14(10)15(20-9-21-17)19-7-8-23-18(25)13-6-4-3-5-12(13)16(24)22-23/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,19,20,21)
InChIKeyZSICXHFTFWMUIK-UHFFFAOYSA-N
XLogP2.42
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione with MolForge

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Related Compounds

5,6-dimethyl-N-(2-piperazin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43600388
5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 154877843
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 55830573
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60964837
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
1-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethylamino]propan-2-ol
CID 104594374
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 52679182

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione?
The IUPAC name of 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione (CID 72894637) is 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione is Cc1sc2ncnc(NCCn3[nH]c(=O)c4ccccc4c3=O)c2c1C.
What is the InChIKey of 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione?
The InChIKey is ZSICXHFTFWMUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-11(2)26-17-14(10)15(20-9-21-17)19-7-8-23-18(25)13-6-4-3-5-12(13)16(24)22-23/h3-6,9H,7-8H2,1-2H3,(H,22,24)(H,19,20,21).
What are the key properties of 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione?
3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione has a molecular weight of 367.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]-2H-phthalazine-1,4-dione is sourced from PubChem (CID 72894637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).