ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide

C23H31FN6OS — CID 142540108

IUPACethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC.Cc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)NCCC3CN(C)C3)c2s1
InChIInChI=1S/C21H25FN6OS.C2H6/c1-12-6-17-19(30-12)18(20(29)24-5-4-14-10-28(3)11-14)27-21(26-17)25-13(2)15-7-16(22)9-23-8-15;1-2/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,24,29)(H,25,26,27);1-2H3/t13-;/m0./s1
InChIKeyZZWXHEWXKLIYRX-ZOWNYOTGSA-N
MW458.61 g/mol
LogP4.41
Rot. Bonds7

About ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide

ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 142540108) has the molecular formula C23H31FN6OS and a molecular weight of 458.61 g/mol. Its IUPAC name is ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Nameethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID142540108
Molecular FormulaC23H31FN6OS
Molecular Weight458.61 g/mol
Exact Mass458.23
IUPAC Nameethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCC.Cc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)NCCC3CN(C)C3)c2s1
InChIInChI=1S/C21H25FN6OS.C2H6/c1-12-6-17-19(30-12)18(20(29)24-5-4-14-10-28(3)11-14)27-21(26-17)25-13(2)15-7-16(22)9-23-8-15;1-2/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,24,29)(H,25,26,27);1-2H3/t13-;/m0./s1
InChIKeyZZWXHEWXKLIYRX-ZOWNYOTGSA-N
XLogP4.41
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
CID 150817428
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
1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-4-piperidin-4-ylbutan-1-one
CID 163430721
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
(3-aminoazetidin-1-yl)-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540525
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[(3S)-3-hydroxycyclopentyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 166978519
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-[2-(3-hydroxyphenyl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 150785059
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540416
ethane;N-ethyl-1-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 142540365
(3-aminoazetidin-1-yl)-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]methanone
CID 146418462
tert-butyl 2-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]acetate
CID 163439421
[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 146427464

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide (CID 142540108) is ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide is CC.Cc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)NCCC3CN(C)C3)c2s1.
What is the InChIKey of ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is ZZWXHEWXKLIYRX-ZOWNYOTGSA-N. The full InChI is InChI=1S/C21H25FN6OS.C2H6/c1-12-6-17-19(30-12)18(20(29)24-5-4-14-10-28(3)11-14)27-21(26-17)25-13(2)15-7-16(22)9-23-8-15;1-2/h6-9,13-14H,4-5,10-11H2,1-3H3,(H,24,29)(H,25,26,27);1-2H3/t13-;/m0./s1.
What are the key properties of ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide?
ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methyl-N-[2-(1-methylazetidin-3-yl)ethyl]thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 142540108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).