ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate

C14H17N3O2S — CID 63618943

IUPACethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncnc2sc(C)cc12)C1CC1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12(18)7-17(10-4-5-10)13-11-6-9(2)20-14(11)16-8-15-13/h6,8,10H,3-5,7H2,1-2H3
InChIKeyVPRIOMGRUQXOSE-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.53
Rot. Bonds5

About ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate

ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate (PubChem CID 63618943) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate
PubChem CID63618943
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncnc2sc(C)cc12)C1CC1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12(18)7-17(10-4-5-10)13-11-6-9(2)20-14(11)16-8-15-13/h6,8,10H,3-5,7H2,1-2H3
InChIKeyVPRIOMGRUQXOSE-UHFFFAOYSA-N
XLogP2.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687124
ethyl 2-[(5-bromoisoquinolin-1-yl)-cyclopropylamino]acetate
CID 106541932
ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
CID 66329484
N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2972044
2-[tert-butyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 79269626
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
CID 114571207
2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 124843777
ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136989680
2-[ethyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848630
2-[cyclopropyl-(6-ethoxy-5-methylpyrimidin-4-yl)amino]acetic acid
CID 66324707
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
CID 62006677
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate (CID 63618943) is ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate is CCOC(=O)CN(c1ncnc2sc(C)cc12)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate?
The InChIKey is VPRIOMGRUQXOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-12(18)7-17(10-4-5-10)13-11-6-9(2)20-14(11)16-8-15-13/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate?
ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate has a molecular weight of 291.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 63618943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).