5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C18H23N7S — CID 55830573

IUPAC5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCN3CCN(c4ncccn4)CC3)c2c1C
InChIInChI=1S/C18H23N7S/c1-13-14(2)26-17-15(13)16(22-12-23-17)19-6-7-24-8-10-25(11-9-24)18-20-4-3-5-21-18/h3-5,12H,6-11H2,1-2H3,(H,19,22,23)
InChIKeyPSPAFTTWRXPSLF-UHFFFAOYSA-N
MW369.50 g/mol
LogP2.33
Rot. Bonds5

About 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 55830573) has the molecular formula C18H23N7S and a molecular weight of 369.50 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID55830573
Molecular FormulaC18H23N7S
Molecular Weight369.50 g/mol
Exact Mass369.17
IUPAC Name5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCN3CCN(c4ncccn4)CC3)c2c1C
InChIInChI=1S/C18H23N7S/c1-13-14(2)26-17-15(13)16(22-12-23-17)19-6-7-24-8-10-25(11-9-24)18-20-4-3-5-21-18/h3-5,12H,6-11H2,1-2H3,(H,19,22,23)
InChIKeyPSPAFTTWRXPSLF-UHFFFAOYSA-N
XLogP2.33
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine 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-(4-methylphenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 46559664
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 52677943
5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 154877843
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
CID 120969981
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969980
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 28953252
2,5,6-trimethyl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 23740566

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 55830573) is 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCCN3CCN(c4ncccn4)CC3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PSPAFTTWRXPSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7S/c1-13-14(2)26-17-15(13)16(22-12-23-17)19-6-7-24-8-10-25(11-9-24)18-20-4-3-5-21-18/h3-5,12H,6-11H2,1-2H3,(H,19,22,23).
What are the key properties of 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 369.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55830573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).