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

C13H17N5OS — CID 47130003

IUPACN-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCNC(=O)CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C13H17N5OS/c1-14-11(19)8-17-3-5-18(6-4-17)13-12-10(2-7-20-12)15-9-16-13/h2,7,9H,3-6,8H2,1H3,(H,14,19)
InChIKeyFJUQCCRBXORSJJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP0.56
Rot. Bonds3

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

N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 47130003) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID47130003
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC NameN-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESCNC(=O)CN1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C13H17N5OS/c1-14-11(19)8-17-3-5-18(6-4-17)13-12-10(2-7-20-12)15-9-16-13/h2,7,9H,3-6,8H2,1H3,(H,14,19)
InChIKeyFJUQCCRBXORSJJ-UHFFFAOYSA-N
XLogP0.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 36731447
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
2-(6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)acetic acid
CID 74232473
1-N-ethyl-3-N-[2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]benzene-1,3-dicarboxamide
CID 90398948
1,3-dimethyl-6-[(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 136527882
2-(2-methoxyethylamino)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119884684
6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
CID 133340858
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 36790347
4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 146124392

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 47130003) is N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is CNC(=O)CN1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is FJUQCCRBXORSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-14-11(19)8-17-3-5-18(6-4-17)13-12-10(2-7-20-12)15-9-16-13/h2,7,9H,3-6,8H2,1H3,(H,14,19).
What are the key properties of N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 47130003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).