N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C25H33N5O2S — CID 5323464

IUPACN-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCN(CC)C(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C
InChIInChI=1S/C25H33N5O2S/c1-5-7-12-28(6-2)25(31)22-18(3)21-23(26-17-27-24(21)33-22)30-15-13-29(14-16-30)19-10-8-9-11-20(19)32-4/h8-11,17H,5-7,12-16H2,1-4H3
InChIKeyZZYPLEGTPQCUTA-UHFFFAOYSA-N
MW467.64 g/mol
LogP4.60
Rot. Bonds8

About N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 5323464) has the molecular formula C25H33N5O2S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID5323464
Molecular FormulaC25H33N5O2S
Molecular Weight467.64 g/mol
Exact Mass467.24
IUPAC NameN-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCCCN(CC)C(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C
InChIInChI=1S/C25H33N5O2S/c1-5-7-12-28(6-2)25(31)22-18(3)21-23(26-17-27-24(21)33-22)30-15-13-29(14-16-30)19-10-8-9-11-20(19)32-4/h8-11,17H,5-7,12-16H2,1-4H3
InChIKeyZZYPLEGTPQCUTA-UHFFFAOYSA-N
XLogP4.60
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4047255
4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617247
4-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20956833
ethyl 2-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 4150021
4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20970117
N-butan-2-yl-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3386178
N-butyl-N-ethyl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 46504517
N-(4-ethoxyphenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 4150022
N-(2-fluorophenyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20970112
N-(3-methoxypropyl)-5-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4604042
ethyl 2-[[4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate
CID 4150030
N-benzyl-N,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344618

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 5323464) is N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is CCCCN(CC)C(=O)c1sc2ncnc(N3CCN(c4ccccc4OC)CC3)c2c1C.
What is the InChIKey of N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZZYPLEGTPQCUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S/c1-5-7-12-28(6-2)25(31)22-18(3)21-23(26-17-27-24(21)33-22)30-15-13-29(14-16-30)19-10-8-9-11-20(19)32-4/h8-11,17H,5-7,12-16H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.64 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 5323464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).