3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C14H14N4O3S — CID 1412275

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1noc(C)c1Cn1cnc2sc(C(N)=O)c(C)c2c1=O
InChIInChI=1S/C14H14N4O3S/c1-6-10-13(22-11(6)12(15)19)16-5-18(14(10)20)4-9-7(2)17-21-8(9)3/h5H,4H2,1-3H3,(H2,15,19)
InChIKeyBRLMZRBFXPKGMI-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.52
Rot. Bonds3

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 1412275) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID1412275
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1noc(C)c1Cn1cnc2sc(C(N)=O)c(C)c2c1=O
InChIInChI=1S/C14H14N4O3S/c1-6-10-13(22-11(6)12(15)19)16-5-18(14(10)20)4-9-7(2)17-21-8(9)3/h5H,4H2,1-3H3,(H2,15,19)
InChIKeyBRLMZRBFXPKGMI-UHFFFAOYSA-N
XLogP1.52
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 1412275) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1noc(C)c1Cn1cnc2sc(C(N)=O)c(C)c2c1=O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BRLMZRBFXPKGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-6-10-13(22-11(6)12(15)19)16-5-18(14(10)20)4-9-7(2)17-21-8(9)3/h5H,4H2,1-3H3,(H2,15,19).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 318.36 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 1412275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).