2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide

C19H26N6O2S — CID 91245127

IUPAC2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCCc1cc2c(N3CCN(C(=O)C4CCC4)CC3)nc(NC(=O)CN)nc2s1
InChIInChI=1S/C19H26N6O2S/c1-2-13-10-14-16(22-19(21-15(26)11-20)23-17(14)28-13)24-6-8-25(9-7-24)18(27)12-4-3-5-12/h10,12H,2-9,11,20H2,1H3,(H,21,22,23,26)
InChIKeySAXLDGYTYUQIRS-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide

2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide (PubChem CID 91245127) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide
PubChem CID91245127
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC Name2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide
SMILESCCc1cc2c(N3CCN(C(=O)C4CCC4)CC3)nc(NC(=O)CN)nc2s1
InChIInChI=1S/C19H26N6O2S/c1-2-13-10-14-16(22-19(21-15(26)11-20)23-17(14)28-13)24-6-8-25(9-7-24)18(27)12-4-3-5-12/h10,12H,2-9,11,20H2,1H3,(H,21,22,23,26)
InChIKeySAXLDGYTYUQIRS-UHFFFAOYSA-N
XLogP1.60
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide (CID 91245127) is 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide is CCc1cc2c(N3CCN(C(=O)C4CCC4)CC3)nc(NC(=O)CN)nc2s1.
What is the InChIKey of 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide?
The InChIKey is SAXLDGYTYUQIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-2-13-10-14-16(22-19(21-15(26)11-20)23-17(14)28-13)24-6-8-25(9-7-24)18(27)12-4-3-5-12/h10,12H,2-9,11,20H2,1H3,(H,21,22,23,26).
What are the key properties of 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide?
2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 91245127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).