(5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C14H14N4O3S — CID 24669651

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(N)c(C(=O)OCc3cc(C)on3)sc2n1
InChIInChI=1S/C14H14N4O3S/c1-6-4-9(18-21-6)5-20-14(19)12-11(15)10-7(2)16-8(3)17-13(10)22-12/h4H,5,15H2,1-3H3
InChIKeyMQYJHIWPUDUIGA-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.54
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 24669651) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID24669651
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCc1nc(C)c2c(N)c(C(=O)OCc3cc(C)on3)sc2n1
InChIInChI=1S/C14H14N4O3S/c1-6-4-9(18-21-6)5-20-14(19)12-11(15)10-7(2)16-8(3)17-13(10)22-12/h4H,5,15H2,1-3H3
InChIKeyMQYJHIWPUDUIGA-UHFFFAOYSA-N
XLogP2.54
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 24669651) is (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is Cc1nc(C)c2c(N)c(C(=O)OCc3cc(C)on3)sc2n1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MQYJHIWPUDUIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-6-4-9(18-21-6)5-20-14(19)12-11(15)10-7(2)16-8(3)17-13(10)22-12/h4H,5,15H2,1-3H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 318.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 5-amino-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 24669651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).