N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

C17H23N5OS — CID 87015920

IUPACN-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCN(CC1CC1)C(=O)CN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H23N5OS/c1-20(10-13-2-3-13)15(23)11-21-5-7-22(8-6-21)16-14-4-9-24-17(14)19-12-18-16/h4,9,12-13H,2-3,5-8,10-11H2,1H3
InChIKeyDFWUZBLKNMBILQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.68
Rot. Bonds5

About N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 87015920) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID87015920
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCN(CC1CC1)C(=O)CN1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C17H23N5OS/c1-20(10-13-2-3-13)15(23)11-21-5-7-22(8-6-21)16-14-4-9-24-17(14)19-12-18-16/h4,9,12-13H,2-3,5-8,10-11H2,1H3
InChIKeyDFWUZBLKNMBILQ-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78898384
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848729
1-(2-methylpiperidin-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 46571384
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
N-(4-ethoxyphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78846993
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 78898373
N-[[4-(ethoxymethyl)phenyl]methyl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78898388
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one
CID 86923357
N-(2-tert-butylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848760

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 87015920) is N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is CN(CC1CC1)C(=O)CN1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is DFWUZBLKNMBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-20(10-13-2-3-13)15(23)11-21-5-7-22(8-6-21)16-14-4-9-24-17(14)19-12-18-16/h4,9,12-13H,2-3,5-8,10-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 345.47 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 87015920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).