N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide

C16H22N6O2S — CID 91124246

IUPACN-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide
SMILESCCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)CN)nc2s1
InChIInChI=1S/C16H22N6O2S/c1-3-11-8-12-14(22-6-4-21(5-7-22)10(2)23)19-16(18-13(24)9-17)20-15(12)25-11/h8H,3-7,9,17H2,1-2H3,(H,18,19,20,24)
InChIKeyLDDAHUZSBKRSQX-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.82
Rot. Bonds4

About N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide

N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide (PubChem CID 91124246) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide
PubChem CID91124246
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide
SMILESCCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)CN)nc2s1
InChIInChI=1S/C16H22N6O2S/c1-3-11-8-12-14(22-6-4-21(5-7-22)10(2)23)19-16(18-13(24)9-17)20-15(12)25-11/h8H,3-7,9,17H2,1-2H3,(H,18,19,20,24)
InChIKeyLDDAHUZSBKRSQX-UHFFFAOYSA-N
XLogP0.82
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide (CID 91124246) is N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide is CCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)CN)nc2s1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide?
The InChIKey is LDDAHUZSBKRSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-3-11-8-12-14(22-6-4-21(5-7-22)10(2)23)19-16(18-13(24)9-17)20-15(12)25-11/h8H,3-7,9,17H2,1-2H3,(H,18,19,20,24).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide?
N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide has a molecular weight of 362.46 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide is sourced from PubChem (CID 91124246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).