1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

C18H17FN4O2S — CID 59647314

IUPAC1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1F
InChIInChI=1S/C18H17FN4O2S/c1-8(24)16-14(20)12-15(10-4-3-5-11(25-2)13(10)19)22-18(21-9-6-7-9)23-17(12)26-16/h3-5,9H,6-7,20H2,1-2H3,(H,21,22,23)
InChIKeyVCKJLFMHHFJDON-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.87
Rot. Bonds5

About 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 59647314) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID59647314
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCOc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1F
InChIInChI=1S/C18H17FN4O2S/c1-8(24)16-14(20)12-15(10-4-3-5-11(25-2)13(10)19)22-18(21-9-6-7-9)23-17(12)26-16/h3-5,9H,6-7,20H2,1-2H3,(H,21,22,23)
InChIKeyVCKJLFMHHFJDON-UHFFFAOYSA-N
XLogP3.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone 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

Org-41841
CID 9887381
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
N-tert-butyl-5-amino-4-(2,3-dimethoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11539288
N-tert-butyl-5-amino-4-(3-methoxyphenyl)-N-methyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
CID 11654606
5-Amino-2-(cyclopropylamino)-4-(2-fluoro-3-hydroxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57390813
5-Amino-2-(cyclopropylamino)-4-(3-hydroxyphenyl)thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57392635
5-amino-2-[[(2R)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 57397876
5-Amino-2-(cyclopropylamino)-4-(3-methoxyphenyl)thiopheno[2,3-d]pyrimidine-6-carboxamide
CID 57397920
5-Amino-4-(3-methoxy-5-pyridyl)-2-cyclopropylamino-thieno[2,3-d]pyrimidine-6-carboxamide
CID 57399527
5-Amino-4-(2-fluoro-3-hydroxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 57399528
5-Amino-4-(3-hydroxy-4-methylphenyl)-2-cyclopropylamino-thieno[2,3-d]pyrimidine-6-carboxamide
CID 57399563
13-(Cyclopropylamino)-5-(2-fluoro-4-methoxyphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 57881773

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 59647314) is 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is COc1cccc(-c2nc(NC3CC3)nc3sc(C(C)=O)c(N)c23)c1F.
What is the InChIKey of 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is VCKJLFMHHFJDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-8(24)16-14(20)12-15(10-4-3-5-11(25-2)13(10)19)22-18(21-9-6-7-9)23-17(12)26-16/h3-5,9H,6-7,20H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 372.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(cyclopropylamino)-4-(2-fluoro-3-methoxyphenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 59647314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).