1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

C21H25N5OS — CID 133278712

IUPAC1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCN(C)Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H25N5OS/c1-25(2)12-17-23-20(26-10-8-15(9-11-26)19(22)27)18-16(13-28-21(18)24-17)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,22,27)
InChIKeyQMGNRRDHDAUNSE-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.12
Rot. Bonds5

About 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide

1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 133278712) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID133278712
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCN(C)Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C21H25N5OS/c1-25(2)12-17-23-20(26-10-8-15(9-11-26)19(22)27)18-16(13-28-21(18)24-17)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,22,27)
InChIKeyQMGNRRDHDAUNSE-UHFFFAOYSA-N
XLogP3.12
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide (CID 133278712) is 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is CN(C)Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is QMGNRRDHDAUNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-25(2)12-17-23-20(26-10-8-15(9-11-26)19(22)27)18-16(13-28-21(18)24-17)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,22,27).
What are the key properties of 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide?
1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133278712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).