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

C21H24N4O2S — CID 133279227

IUPACN-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCOCc1nc(N2CCC(NC(C)=O)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N4O2S/c1-14(26)22-16-8-10-25(11-9-16)20-19-17(15-6-4-3-5-7-15)13-28-21(19)24-18(23-20)12-27-2/h3-7,13,16H,8-12H2,1-2H3,(H,22,26)
InChIKeyQKFZECUEXNZPCD-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.61
Rot. Bonds5

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

N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 133279227) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID133279227
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCOCc1nc(N2CCC(NC(C)=O)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H24N4O2S/c1-14(26)22-16-8-10-25(11-9-16)20-19-17(15-6-4-3-5-7-15)13-28-21(19)24-18(23-20)12-27-2/h3-7,13,16H,8-12H2,1-2H3,(H,22,26)
InChIKeyQKFZECUEXNZPCD-UHFFFAOYSA-N
XLogP3.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 133279227) is N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is COCc1nc(N2CCC(NC(C)=O)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is QKFZECUEXNZPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14(26)22-16-8-10-25(11-9-16)20-19-17(15-6-4-3-5-7-15)13-28-21(19)24-18(23-20)12-27-2/h3-7,13,16H,8-12H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 133279227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).