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

C23H33N5O2S — CID 142540425

IUPACethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC.COC.Cc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCCC3)c2s1
InChIInChI=1S/C19H21N5OS.C2H6O.C2H6/c1-12-11-15-17(26-12)16(18(25)24-9-5-6-10-24)23-19(22-15)21-13(2)14-7-3-4-8-20-14;1-3-2;1-2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,21,22,23);1-2H3;1-2H3/t13-;;/m0../s1
InChIKeyCGKPUZPNLSYUAV-GXKRWWSZSA-N
MW443.62 g/mol
LogP5.09
Rot. Bonds4

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

ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 142540425) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Nameethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID142540425
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC Nameethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC.COC.Cc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCCC3)c2s1
InChIInChI=1S/C19H21N5OS.C2H6O.C2H6/c1-12-11-15-17(26-12)16(18(25)24-9-5-6-10-24)23-19(22-15)21-13(2)14-7-3-4-8-20-14;1-3-2;1-2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,21,22,23);1-2H3;1-2H3/t13-;;/m0../s1
InChIKeyCGKPUZPNLSYUAV-GXKRWWSZSA-N
XLogP5.09
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.62
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540212
ethane;1-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 142540161
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-methyl-5-(1-pyridin-2-ylethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 146418498
6-[(2S)-1-hydroxypropan-2-yl]-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide
CID 162779417
tert-butyl 2-[1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]acetate
CID 158377703
[2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 25230181
1-[1-[2-methyl-5-[[(1S)-1-pyridin-2-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3-phenylurea
CID 146418586
[2-amino-4-(1-pyridin-2-ylethylamino)quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 123632803
[2-amino-4-[[(1R)-1-pyridin-2-ylethyl]amino]quinazolin-7-yl]-pyrrolidin-1-ylmethanone
CID 74767836
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999377
N-tert-butyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidine-4-carboxamide;ethane
CID 142540394
azepan-1-yl-[3-nitro-4-(1-pyridin-2-ylethylamino)phenyl]methanone
CID 51124562

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 142540425) is ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CC.COC.Cc1cc2nc(N[C@@H](C)c3ccccn3)nc(C(=O)N3CCCC3)c2s1.
What is the InChIKey of ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CGKPUZPNLSYUAV-GXKRWWSZSA-N. The full InChI is InChI=1S/C19H21N5OS.C2H6O.C2H6/c1-12-11-15-17(26-12)16(18(25)24-9-5-6-10-24)23-19(22-15)21-13(2)14-7-3-4-8-20-14;1-3-2;1-2/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,21,22,23);1-2H3;1-2H3/t13-;;/m0../s1.
What are the key properties of ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 443.62 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;[6-methyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 142540425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).