N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride

C20H30ClN5OS — CID 119574861

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(C)(CN)C4CC4)CC3)c2c1C.Cl
InChIInChI=1S/C20H29N5OS.ClH/c1-12-13(2)27-19-16(12)17(22-11-23-19)25-8-6-14(7-9-25)18(26)24-20(3,10-21)15-4-5-15;/h11,14-15H,4-10,21H2,1-3H3,(H,24,26);1H
InChIKeyCQVRYGAPJGVSEV-UHFFFAOYSA-N
MW424.01 g/mol
LogP3.19
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119574861) has the molecular formula C20H30ClN5OS and a molecular weight of 424.01 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119574861
Molecular FormulaC20H30ClN5OS
Molecular Weight424.01 g/mol
Exact Mass423.19
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(C)(CN)C4CC4)CC3)c2c1C.Cl
InChIInChI=1S/C20H29N5OS.ClH/c1-12-13(2)27-19-16(12)17(22-11-23-19)25-8-6-14(7-9-25)18(26)24-20(3,10-21)15-4-5-15;/h11,14-15H,4-10,21H2,1-3H3,(H,24,26);1H
InChIKeyCQVRYGAPJGVSEV-UHFFFAOYSA-N
XLogP3.19
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.01
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
CID 119629198
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CID 119587791
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119508053
3-[[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]propanoic acid
CID 119350896
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 78855921
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(pyrrolidin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119513267
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N-[2-(dimethylamino)-2-oxoethyl]-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 17415814
N-(4-acetamidophenyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 30266901
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
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N-benzyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride (CID 119574861) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride is Cc1sc2ncnc(N3CCC(C(=O)NC(C)(CN)C4CC4)CC3)c2c1C.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is CQVRYGAPJGVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS.ClH/c1-12-13(2)27-19-16(12)17(22-11-23-19)25-8-6-14(7-9-25)18(26)24-20(3,10-21)15-4-5-15;/h11,14-15H,4-10,21H2,1-3H3,(H,24,26);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 424.01 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119574861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).