N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C23H28N4O2S — CID 56552121

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)sc2n1
InChIInChI=1S/C23H28N4O2S/c1-14-20-15(2)25-16(3)26-23(20)30-21(14)22(29)24-12-17-4-6-18(7-5-17)13-27-10-8-19(28)9-11-27/h4-7,19,28H,8-13H2,1-3H3,(H,24,29)
InChIKeyZSPDLERUMRJRJY-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.50
Rot. Bonds5

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56552121) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56552121
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(C)c2c(C)c(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)sc2n1
InChIInChI=1S/C23H28N4O2S/c1-14-20-15(2)25-16(3)26-23(20)30-21(14)22(29)24-12-17-4-6-18(7-5-17)13-27-10-8-19(28)9-11-27/h4-7,19,28H,8-13H2,1-3H3,(H,24,29)
InChIKeyZSPDLERUMRJRJY-UHFFFAOYSA-N
XLogP3.50
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56551918
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057186
4-methyl-2-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 26953439
N-[(4-fluorophenyl)methyl]-2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 3567884
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
2-benzyl-5-methyl-4-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 24551317
4-bromo-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 56551902
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24683186
4-fluoro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 56552267
2-tert-butyl-N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 30797052
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
2,4,5-trimethyl-N-[(1-phenylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33284197

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 56552121) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(C)c(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)sc2n1.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZSPDLERUMRJRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-14-20-15(2)25-16(3)26-23(20)30-21(14)22(29)24-12-17-4-6-18(7-5-17)13-27-10-8-19(28)9-11-27/h4-7,19,28H,8-13H2,1-3H3,(H,24,29).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56552121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).