ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate

C14H17N3O2S — CID 102687124

IUPACethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncnc2c(C)csc12)C1CC1
InChIInChI=1S/C14H17N3O2S/c1-3-19-11(18)6-17(10-4-5-10)14-13-12(15-8-16-14)9(2)7-20-13/h7-8,10H,3-6H2,1-2H3
InChIKeyYOGIWOKTBYJYKI-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.53
Rot. Bonds5

About ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate

ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate (PubChem CID 102687124) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
PubChem CID102687124
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Nameethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1ncnc2c(C)csc12)C1CC1
InChIInChI=1S/C14H17N3O2S/c1-3-19-11(18)6-17(10-4-5-10)14-13-12(15-8-16-14)9(2)7-20-13/h7-8,10H,3-6H2,1-2H3
InChIKeyYOGIWOKTBYJYKI-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate (CID 102687124) is ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate is CCOC(=O)CN(c1ncnc2c(C)csc12)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The InChIKey is YOGIWOKTBYJYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-11(18)6-17(10-4-5-10)14-13-12(15-8-16-14)9(2)7-20-13/h7-8,10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
ethyl 2-[cyclopropyl-(7-methylthieno[3,2-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-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 102687124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).