4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

C19H20N6S2 — CID 133487158

IUPAC4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ncnc5sc(C)cc45)CC3)ncnc2s1
InChIInChI=1S/C19H20N6S2/c1-3-13-9-15-17(21-11-23-19(15)27-13)25-6-4-24(5-7-25)16-14-8-12(2)26-18(14)22-10-20-16/h8-11H,3-7H2,1-2H3
InChIKeyWDKSRHCXUXUQPV-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.89
Rot. Bonds3

About 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine

4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133487158) has the molecular formula C19H20N6S2 and a molecular weight of 396.55 g/mol. Its IUPAC name is 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID133487158
Molecular FormulaC19H20N6S2
Molecular Weight396.55 g/mol
Exact Mass396.12
IUPAC Name4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ncnc5sc(C)cc45)CC3)ncnc2s1
InChIInChI=1S/C19H20N6S2/c1-3-13-9-15-17(21-11-23-19(15)27-13)25-6-4-24(5-7-25)16-14-8-12(2)26-18(14)22-10-20-16/h8-11H,3-7H2,1-2H3
InChIKeyWDKSRHCXUXUQPV-UHFFFAOYSA-N
XLogP3.89
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
6-ethyl-4-[4-(2-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 962678
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidine
CID 46362719
4-(4-chloropiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 63388915
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389
6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407641
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (CID 133487158) is 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4ncnc5sc(C)cc45)CC3)ncnc2s1.
What is the InChIKey of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is WDKSRHCXUXUQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S2/c1-3-13-9-15-17(21-11-23-19(15)27-13)25-6-4-24(5-7-25)16-14-8-12(2)26-18(14)22-10-20-16/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 396.55 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133487158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).