ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone

C24H35FN6OS — CID 142540099

IUPACethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCC.CC.CN[C@@H]1CCN(C(=O)c2nc(NC(C)c3cncc(F)c3)nc3cc(C)sc23)C1
InChIInChI=1S/C20H23FN6OS.2C2H6/c1-11-6-16-18(29-11)17(19(28)27-5-4-15(10-27)22-3)26-20(25-16)24-12(2)13-7-14(21)9-23-8-13;2*1-2/h6-9,12,15,22H,4-5,10H2,1-3H3,(H,24,25,26);2*1-2H3/t12?,15-;;/m1../s1
InChIKeyICHQQFMJDCAFLY-SWEFTRPJSA-N
MW474.65 g/mol
LogP5.19
Rot. Bonds5

About ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone

ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 142540099) has the molecular formula C24H35FN6OS and a molecular weight of 474.65 g/mol. Its IUPAC name is ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID142540099
Molecular FormulaC24H35FN6OS
Molecular Weight474.65 g/mol
Exact Mass474.26
IUPAC Nameethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCC.CC.CN[C@@H]1CCN(C(=O)c2nc(NC(C)c3cncc(F)c3)nc3cc(C)sc23)C1
InChIInChI=1S/C20H23FN6OS.2C2H6/c1-11-6-16-18(29-11)17(19(28)27-5-4-15(10-27)22-3)26-20(25-16)24-12(2)13-7-14(21)9-23-8-13;2*1-2/h6-9,12,15,22H,4-5,10H2,1-3H3,(H,24,25,26);2*1-2H3/t12?,15-;;/m1../s1
InChIKeyICHQQFMJDCAFLY-SWEFTRPJSA-N
XLogP5.19
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carboxylic acid
CID 150817428
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
N-[(3S)-1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]pyrrolidin-3-yl]acetamide
CID 146418408
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
[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
N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]cyclobutanecarboxamide
CID 146418413
ethane;N-ethyl-1-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 142540365
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 142540416
azetidin-1-yl-[6-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540212
N-[1-[5-[1-(5-fluoro-3-pyridinyl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-2,2-dimethylpropanamide
CID 146418439
(3-aminoazetidin-1-yl)-[2-[1-(5-fluoro-3-pyridinyl)ethylamino]thieno[3,2-d]pyrimidin-4-yl]methanone;ethane
CID 142540525
(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

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of 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) is ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone is CC.CC.CN[C@@H]1CCN(C(=O)c2nc(NC(C)c3cncc(F)c3)nc3cc(C)sc23)C1.
What is the InChIKey of ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is ICHQQFMJDCAFLY-SWEFTRPJSA-N. The full InChI is InChI=1S/C20H23FN6OS.2C2H6/c1-11-6-16-18(29-11)17(19(28)27-5-4-15(10-27)22-3)26-20(25-16)24-12(2)13-7-14(21)9-23-8-13;2*1-2/h6-9,12,15,22H,4-5,10H2,1-3H3,(H,24,25,26);2*1-2H3/t12?,15-;;/m1../s1.
What are the key properties of ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone?
ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 474.65 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[1-(5-fluoro-3-pyridinyl)ethylamino]-6-methylthieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 142540099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).