azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane

C20H25N5OS — CID 142540212

IUPACazetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
SMILESCC.Cc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CCC3)c2s1
InChIInChI=1S/C18H19N5OS.C2H6/c1-11-9-14-16(25-11)15(17(24)23-7-4-8-23)22-18(21-14)20-12(2)13-5-3-6-19-10-13;1-2/h3,5-6,9-10,12H,4,7-8H2,1-2H3,(H,20,21,22);1-2H3/t12-;/m0./s1
InChIKeyKXURHJOYTJMHEJ-YDALLXLXSA-N
MW383.52 g/mol
LogP4.44
Rot. Bonds4

About azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane

azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane (PubChem CID 142540212) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane.

Molecular Properties

Compound Nameazetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
PubChem CID142540212
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Nameazetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
SMILESCC.Cc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CCC3)c2s1
InChIInChI=1S/C18H19N5OS.C2H6/c1-11-9-14-16(25-11)15(17(24)23-7-4-8-23)22-18(21-14)20-12(2)13-5-3-6-19-10-13;1-2/h3,5-6,9-10,12H,4,7-8H2,1-2H3,(H,20,21,22);1-2H3/t12-;/m0./s1
InChIKeyKXURHJOYTJMHEJ-YDALLXLXSA-N
XLogP4.44
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25230181
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 142540099
[(3S)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 146418401
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540416
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
CID 150817428
(3-methylsulfonylpyrrolidin-1-yl)-[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 166978540
1-cyclopentyl-3-[1-[2-methyl-5-(1-pyridin-3-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]urea
CID 146418398
propan-2-yl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate
CID 163727671
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 142540176
5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
CID 115423528
(4S)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one
CID 162089733
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
The IUPAC name of azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane (CID 142540212) is azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane.
What is the SMILES notation for azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
The canonical SMILES for azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane is CC.Cc1cc2nc(N[C@@H](C)c3cccnc3)nc(C(=O)N3CCC3)c2s1.
What is the InChIKey of azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
The InChIKey is KXURHJOYTJMHEJ-YDALLXLXSA-N. The full InChI is InChI=1S/C18H19N5OS.C2H6/c1-11-9-14-16(25-11)15(17(24)23-7-4-8-23)22-18(21-14)20-12(2)13-5-3-6-19-10-13;1-2/h3,5-6,9-10,12H,4,7-8H2,1-2H3,(H,20,21,22);1-2H3/t12-;/m0./s1.
What are the key properties of azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane?
azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane has a molecular weight of 383.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane is sourced from PubChem (CID 142540212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).