5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide

C20H23ClN4O2S — CID 9251145

IUPAC5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide
SMILESCCN(CC)Cc1nc(Oc2ccc(Cl)cc2C(N)=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H23ClN4O2S/c1-5-25(6-2)10-16-23-19(17-11(3)12(4)28-20(17)24-16)27-15-8-7-13(21)9-14(15)18(22)26/h7-9H,5-6,10H2,1-4H3,(H2,22,26)
InChIKeyKLQTWHIKPYZPRH-UHFFFAOYSA-N
MW418.95 g/mol
LogP4.69
Rot. Bonds7

About 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide

5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide (PubChem CID 9251145) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide
PubChem CID9251145
Molecular FormulaC20H23ClN4O2S
Molecular Weight418.95 g/mol
Exact Mass418.12
IUPAC Name5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide
SMILESCCN(CC)Cc1nc(Oc2ccc(Cl)cc2C(N)=O)c2c(C)c(C)sc2n1
InChIInChI=1S/C20H23ClN4O2S/c1-5-25(6-2)10-16-23-19(17-11(3)12(4)28-20(17)24-16)27-15-8-7-13(21)9-14(15)18(22)26/h7-9H,5-6,10H2,1-4H3,(H2,22,26)
InChIKeyKLQTWHIKPYZPRH-UHFFFAOYSA-N
XLogP4.69
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.95
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
N-ethyl-N-[[4-(4-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
CID 9280227
N-[[5,6-dimethyl-4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 17437125
ethyl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzoate
CID 9251221
5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251132
[4-(4-acetyl-2-methoxyphenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-diethylazanium
CID 9112514
5-chloro-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251131
1-(4-chlorophenyl)-2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 3197524
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79379457
4-[4-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenol
CID 9279549
diethyl-[[4-(4-formyl-2-nitrophenoxy)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 9111830
N-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-(cyclobutylmethyl)ethanamine
CID 107398260

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide (CID 9251145) is 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide is CCN(CC)Cc1nc(Oc2ccc(Cl)cc2C(N)=O)c2c(C)c(C)sc2n1.
What is the InChIKey of 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
The InChIKey is KLQTWHIKPYZPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-5-25(6-2)10-16-23-19(17-11(3)12(4)28-20(17)24-16)27-15-8-7-13(21)9-14(15)18(22)26/h7-9H,5-6,10H2,1-4H3,(H2,22,26).
What are the key properties of 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide?
5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide has a molecular weight of 418.95 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(diethylaminomethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 9251145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).