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

C11H13N3O2S — CID 102687114

IUPACmethyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncnc2c(C)csc12
InChIInChI=1S/C11H13N3O2S/c1-7-5-17-10-9(7)12-6-13-11(10)14(2)4-8(15)16-3/h5-6H,4H2,1-3H3
InChIKeyYCQQEIVCCYLKLE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.61
Rot. Bonds3

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

methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate (PubChem CID 102687114) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
PubChem CID102687114
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CN(C)c1ncnc2c(C)csc12
InChIInChI=1S/C11H13N3O2S/c1-7-5-17-10-9(7)12-6-13-11(10)14(2)4-8(15)16-3/h5-6H,4H2,1-3H3
InChIKeyYCQQEIVCCYLKLE-UHFFFAOYSA-N
XLogP1.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate with MolForge

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Related Compounds

1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
CID 102687017
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
ethyl 2-[cyclopropyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687124
N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
CID 102686089
N,7-dimethyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 171328912
methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate
CID 105370376
4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 102686010
N-(2-chloroethyl)-7-methyl-N-pentan-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 102687245
2-[methyl-(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 122052220
methyl 2-[(2-methoxy-2-oxoethyl)-thieno[3,2-d]pyrimidin-4-ylamino]acetate
CID 62956789
methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate
CID 11357172
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate (CID 102687114) is methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate is COC(=O)CN(C)c1ncnc2c(C)csc12.
What is the InChIKey of methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
The InChIKey is YCQQEIVCCYLKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-5-17-10-9(7)12-6-13-11(10)14(2)4-8(15)16-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate?
methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate has a molecular weight of 251.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 102687114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).