1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide

C21H32N4OS — CID 55602131

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)N(CC(C)C)C(C)C)CC3)c2c1C
InChIInChI=1S/C21H32N4OS/c1-13(2)11-25(14(3)4)21(26)17-7-9-24(10-8-17)19-18-15(5)16(6)27-20(18)23-12-22-19/h12-14,17H,7-11H2,1-6H3
InChIKeyQLRJKWVPTXQPBX-UHFFFAOYSA-N
MW388.58 g/mol
LogP4.42
Rot. Bonds5

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 55602131) has the molecular formula C21H32N4OS and a molecular weight of 388.58 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID55602131
Molecular FormulaC21H32N4OS
Molecular Weight388.58 g/mol
Exact Mass388.23
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)N(CC(C)C)C(C)C)CC3)c2c1C
InChIInChI=1S/C21H32N4OS/c1-13(2)11-25(14(3)4)21(26)17-7-9-24(10-8-17)19-18-15(5)16(6)27-20(18)23-12-22-19/h12-14,17H,7-11H2,1-6H3
InChIKeyQLRJKWVPTXQPBX-UHFFFAOYSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.58
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 137316110
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-methyl-N-phenylpiperidine-4-carboxamide
CID 41466549
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 55595247
N-(1-amino-4-methylpentan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 119587791
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 45354369
[2-(dimethylamino)-2-oxoethyl] 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 8606773
N-[2-(dimethylamino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 17415814
N-(2-cyanoethyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 56534781
N-butyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 55488411
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119350896

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 55602131) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)N(CC(C)C)C(C)C)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is QLRJKWVPTXQPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OS/c1-13(2)11-25(14(3)4)21(26)17-7-9-24(10-8-17)19-18-15(5)16(6)27-20(18)23-12-22-19/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 388.58 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55602131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).