methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate

C14H12N4O2S — CID 137429496

IUPACmethyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c(C)sc2c(N)nc(-c3ccccn3)nc12
InChIInChI=1S/C14H12N4O2S/c1-7-9(14(19)20-2)10-11(21-7)12(15)18-13(17-10)8-5-3-4-6-16-8/h3-6H,1-2H3,(H2,15,17,18)
InChIKeyRPXMRWHOBZRYMZ-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.43
Rot. Bonds2

About methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate

methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate (PubChem CID 137429496) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate
PubChem CID137429496
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Namemethyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1c(C)sc2c(N)nc(-c3ccccn3)nc12
InChIInChI=1S/C14H12N4O2S/c1-7-9(14(19)20-2)10-11(21-7)12(15)18-13(17-10)8-5-3-4-6-16-8/h3-6H,1-2H3,(H2,15,17,18)
InChIKeyRPXMRWHOBZRYMZ-UHFFFAOYSA-N
XLogP2.43
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate (CID 137429496) is methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate is COC(=O)c1c(C)sc2c(N)nc(-c3ccccn3)nc12.
What is the InChIKey of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is RPXMRWHOBZRYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-7-9(14(19)20-2)10-11(21-7)12(15)18-13(17-10)8-5-3-4-6-16-8/h3-6H,1-2H3,(H2,15,17,18).
What are the key properties of methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate?
methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 137429496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).