N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane

C20H27N5OS — CID 142540394

IUPACN-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
SMILESCC.C[C@H](Nc1nc(C(=O)NC(C)(C)C)c2sccc2n1)c1ccccn1
InChIInChI=1S/C18H21N5OS.C2H6/c1-11(12-7-5-6-9-19-12)20-17-21-13-8-10-25-15(13)14(22-17)16(24)23-18(2,3)4;1-2/h5-11H,1-4H3,(H,23,24)(H,20,21,22);1-2H3/t11-;/m0./s1
InChIKeyHBLNPZBNPODXRM-MERQFXBCSA-N
MW385.54 g/mol
LogP4.81
Rot. Bonds4

About N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane

N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane (PubChem CID 142540394) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane.

Molecular Properties

Compound NameN-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
PubChem CID142540394
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
SMILESCC.C[C@H](Nc1nc(C(=O)NC(C)(C)C)c2sccc2n1)c1ccccn1
InChIInChI=1S/C18H21N5OS.C2H6/c1-11(12-7-5-6-9-19-12)20-17-21-13-8-10-25-15(13)14(22-17)16(24)23-18(2,3)4;1-2/h5-11H,1-4H3,(H,23,24)(H,20,21,22);1-2H3/t11-;/m0./s1
InChIKeyHBLNPZBNPODXRM-MERQFXBCSA-N
XLogP4.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane with MolForge

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Related Compounds

molecular hydrogen;2-(1-pyridin-2-ylethylamino)-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540200
2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidine-4-carboxamide
CID 163408066
ethane;1-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 142540161
N-(1-pyridin-2-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 17418978
ethane;N-(1-pyridin-3-ylpropyl)-2-(1-pyridin-3-ylpropylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540083
7-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 142540362
6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 162779417
ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540425
5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64628864
3-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 43007029
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
N-tert-butyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304745

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane?
The IUPAC name of N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane (CID 142540394) is N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane.
What is the SMILES notation for N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane?
The canonical SMILES for N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane is CC.C[C@H](Nc1nc(C(=O)NC(C)(C)C)c2sccc2n1)c1ccccn1.
What is the InChIKey of N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane?
The InChIKey is HBLNPZBNPODXRM-MERQFXBCSA-N. The full InChI is InChI=1S/C18H21N5OS.C2H6/c1-11(12-7-5-6-9-19-12)20-17-21-13-8-10-25-15(13)14(22-17)16(24)23-18(2,3)4;1-2/h5-11H,1-4H3,(H,23,24)(H,20,21,22);1-2H3/t11-;/m0./s1.
What are the key properties of N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane?
N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane has a molecular weight of 385.54 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane is sourced from PubChem (CID 142540394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).