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

C18H28ClN5OS — CID 119629198

IUPACN-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
SMILESCc1sc2ncnc(N3CCC(C(=O)NCC(C)(C)N)CC3)c2c1C.Cl
InChIInChI=1S/C18H27N5OS.ClH/c1-11-12(2)25-17-14(11)15(21-10-22-17)23-7-5-13(6-8-23)16(24)20-9-18(3,4)19;/h10,13H,5-9,19H2,1-4H3,(H,20,24);1H
InChIKeyJFHAPZGGCYUFCH-UHFFFAOYSA-N
MW397.98 g/mol
LogP2.80
Rot. Bonds4

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

N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119629198) has the molecular formula C18H28ClN5OS and a molecular weight of 397.98 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119629198
Molecular FormulaC18H28ClN5OS
Molecular Weight397.98 g/mol
Exact Mass397.17
IUPAC NameN-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride
SMILESCc1sc2ncnc(N3CCC(C(=O)NCC(C)(C)N)CC3)c2c1C.Cl
InChIInChI=1S/C18H27N5OS.ClH/c1-11-12(2)25-17-14(11)15(21-10-22-17)23-7-5-13(6-8-23)16(24)20-9-18(3,4)19;/h10,13H,5-9,19H2,1-4H3,(H,20,24);1H
InChIKeyJFHAPZGGCYUFCH-UHFFFAOYSA-N
XLogP2.80
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.98
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 119574861
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
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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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1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 26448184
N-(4-acetamidophenyl)-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-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride (CID 119629198) is N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride is Cc1sc2ncnc(N3CCC(C(=O)NCC(C)(C)N)CC3)c2c1C.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is JFHAPZGGCYUFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS.ClH/c1-11-12(2)25-17-14(11)15(21-10-22-17)23-7-5-13(6-8-23)16(24)20-9-18(3,4)19;/h10,13H,5-9,19H2,1-4H3,(H,20,24);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 397.98 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119629198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).