N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide

C22H27N5OS — CID 133279228

IUPACN-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H27N5OS/c1-15(28)23-17-9-11-27(12-10-17)21-20-18(16-7-5-4-6-8-16)14-29-22(20)25-19(24-21)13-26(2)3/h4-8,14,17H,9-13H2,1-3H3,(H,23,28)
InChIKeyUKJQIJKRFQVZOU-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.52
Rot. Bonds5

About N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide

N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 133279228) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID133279228
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC NameN-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c23)CC1
InChIInChI=1S/C22H27N5OS/c1-15(28)23-17-9-11-27(12-10-17)21-20-18(16-7-5-4-6-8-16)14-29-22(20)25-19(24-21)13-26(2)3/h4-8,14,17H,9-13H2,1-3H3,(H,23,28)
InChIKeyUKJQIJKRFQVZOU-UHFFFAOYSA-N
XLogP3.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 133279228) is N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc(CN(C)C)nc3scc(-c4ccccc4)c23)CC1.
What is the InChIKey of N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is UKJQIJKRFQVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-15(28)23-17-9-11-27(12-10-17)21-20-18(16-7-5-4-6-8-16)14-29-22(20)25-19(24-21)13-26(2)3/h4-8,14,17H,9-13H2,1-3H3,(H,23,28).
What are the key properties of N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 133279228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).