4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol

C23H31N5OS — CID 9279549

IUPAC4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol
SMILESCCN(CC)Cc1nc(N2CCN(c3ccc(O)cc3)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C23H31N5OS/c1-5-26(6-2)15-20-24-22(21-16(3)17(4)30-23(21)25-20)28-13-11-27(12-14-28)18-7-9-19(29)10-8-18/h7-10,29H,5-6,11-15H2,1-4H3
InChIKeySOHYKQYPSFCOLJ-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.18
Rot. Bonds6

About 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol

4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol (PubChem CID 9279549) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol
PubChem CID9279549
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC Name4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol
SMILESCCN(CC)Cc1nc(N2CCN(c3ccc(O)cc3)CC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C23H31N5OS/c1-5-26(6-2)15-20-24-22(21-16(3)17(4)30-23(21)25-20)28-13-11-27(12-14-28)18-7-9-19(29)10-8-18/h7-10,29H,5-6,11-15H2,1-4H3
InChIKeySOHYKQYPSFCOLJ-UHFFFAOYSA-N
XLogP4.18
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol with MolForge

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Related Compounds

N-[[5,6-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 9311061
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738
2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 91964710
2-chloro-1-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 42799781
N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
CID 9280227
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-4-(4-thiophen-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 167753965
(3,4-dichlorophenyl)-[4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42799793
N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
CID 118883278
2-chloro-1-[4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42799722
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 133274015
N-tert-butyl-4-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 42799970
4-[4-(4-chlorophenyl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 35475008

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol (CID 9279549) is 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol is CCN(CC)Cc1nc(N2CCN(c3ccc(O)cc3)CC2)c2c(C)c(C)sc2n1.
What is the InChIKey of 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol?
The InChIKey is SOHYKQYPSFCOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-5-26(6-2)15-20-24-22(21-16(3)17(4)30-23(21)25-20)28-13-11-27(12-14-28)18-7-9-19(29)10-8-18/h7-10,29H,5-6,11-15H2,1-4H3.
What are the key properties of 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol?
4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol has a molecular weight of 425.60 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol is sourced from PubChem (CID 9279549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).