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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Related Compounds

N-[1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 133279228
1-[4-(4-cyclopropylpiperazin-1-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]-N,N-dimethylmethanamine
CID 133279187
(3R,4S)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603327
(3R,4R)-1-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-3-ol
CID 100603337
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686
N,N-dimethyl-1-[5-phenyl-4-(4-prop-2-ynylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methanamine
CID 133278924
(3R)-2-[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 133278815
N,N-dimethyl-1-[4-(2-methylmorpholin-4-yl)-5-phenylthieno[2,3-d]pyrimidin-2-yl]methanamine
CID 133278888
5-[[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]oxolane-2-carboxamide
CID 133380672
N-ethyl-1-(5-phenyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133278572
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
methyl 3-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 133385745

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).