4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

C15H20N6O2S — CID 71654840

IUPAC4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H20N6O2S/c1-10(22)17-2-3-20-4-6-21(7-5-20)15-13-11(18-9-19-15)8-12(24-13)14(16)23/h8-9H,2-7H2,1H3,(H2,16,23)(H,17,22)
InChIKeyCYKFBJNULRRZFT-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.05
Rot. Bonds5

About 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide

4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654840) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654840
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCC(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1
InChIInChI=1S/C15H20N6O2S/c1-10(22)17-2-3-20-4-6-21(7-5-20)15-13-11(18-9-19-15)8-12(24-13)14(16)23/h8-9H,2-7H2,1H3,(H2,16,23)(H,17,22)
InChIKeyCYKFBJNULRRZFT-UHFFFAOYSA-N
XLogP0.05
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654840) is 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is CC(=O)NCCN1CCN(c2ncnc3cc(C(N)=O)sc23)CC1.
What is the InChIKey of 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is CYKFBJNULRRZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-10(22)17-2-3-20-4-6-21(7-5-20)15-13-11(18-9-19-15)8-12(24-13)14(16)23/h8-9H,2-7H2,1H3,(H2,16,23)(H,17,22).
What are the key properties of 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide?
4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-acetamidoethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).