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

C24H25N5OS — CID 133279040

IUPACN-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C24H25N5OS/c1-16(30)26-19-11-7-8-17(12-19)13-25-23-22-20(18-9-5-4-6-10-18)15-31-24(22)28-21(27-23)14-29(2)3/h4-12,15H,13-14H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyVAANYVKCOGHBGF-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.99
Rot. Bonds7

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

N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 133279040) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID133279040
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC NameN-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C24H25N5OS/c1-16(30)26-19-11-7-8-17(12-19)13-25-23-22-20(18-9-5-4-6-10-18)15-31-24(22)28-21(27-23)14-29(2)3/h4-12,15H,13-14H2,1-3H3,(H,26,30)(H,25,27,28)
InChIKeyVAANYVKCOGHBGF-UHFFFAOYSA-N
XLogP4.99
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 133279040) is N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNc2nc(CN(C)C)nc3scc(-c4ccccc4)c23)c1.
What is the InChIKey of N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is VAANYVKCOGHBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-16(30)26-19-11-7-8-17(12-19)13-25-23-22-20(18-9-5-4-6-10-18)15-31-24(22)28-21(27-23)14-29(2)3/h4-12,15H,13-14H2,1-3H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 431.57 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 133279040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).