2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C19H20N6S2 — CID 133487045

IUPAC2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(c3ncnc4sc(C)cc34)CC2)c2c(C)csc2n1
InChIInChI=1S/C19H20N6S2/c1-11-9-26-19-15(11)17(22-13(3)23-19)25-6-4-24(5-7-25)16-14-8-12(2)27-18(14)21-10-20-16/h8-10H,4-7H2,1-3H3
InChIKeyUZGVAPKLHJSWKR-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.95
Rot. Bonds2

About 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133487045) has the molecular formula C19H20N6S2 and a molecular weight of 396.55 g/mol. Its IUPAC name is 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133487045
Molecular FormulaC19H20N6S2
Molecular Weight396.55 g/mol
Exact Mass396.12
IUPAC Name2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(c3ncnc4sc(C)cc34)CC2)c2c(C)csc2n1
InChIInChI=1S/C19H20N6S2/c1-11-9-26-19-15(11)17(22-13(3)23-19)25-6-4-24(5-7-25)16-14-8-12(2)27-18(14)21-10-20-16/h8-10H,4-7H2,1-3H3
InChIKeyUZGVAPKLHJSWKR-UHFFFAOYSA-N
XLogP3.95
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487136
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
6-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407641
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine
CID 140546700
3,5-dimethyl-4-[[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133409218
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
2,2-dimethyl-1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 39072814
4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-amine
CID 63617389

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 133487045) is 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1nc(N2CCN(c3ncnc4sc(C)cc34)CC2)c2c(C)csc2n1.
What is the InChIKey of 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is UZGVAPKLHJSWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S2/c1-11-9-26-19-15(11)17(22-13(3)23-19)25-6-4-24(5-7-25)16-14-8-12(2)27-18(14)21-10-20-16/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 396.55 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133487045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).