3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one

C14H16N4O2S — CID 99775475

IUPAC3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1noc(C)c1N(C)CCn1cnc2ccsc2c1=O
InChIInChI=1S/C14H16N4O2S/c1-9-12(10(2)20-16-9)17(3)5-6-18-8-15-11-4-7-21-13(11)14(18)19/h4,7-8H,5-6H2,1-3H3
InChIKeyFPFAIRHUFKAGBU-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.20
Rot. Bonds4

About 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one

3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 99775475) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID99775475
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1noc(C)c1N(C)CCn1cnc2ccsc2c1=O
InChIInChI=1S/C14H16N4O2S/c1-9-12(10(2)20-16-9)17(3)5-6-18-8-15-11-4-7-21-13(11)14(18)19/h4,7-8H,5-6H2,1-3H3
InChIKeyFPFAIRHUFKAGBU-UHFFFAOYSA-N
XLogP2.20
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one (CID 99775475) is 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one is Cc1noc(C)c1N(C)CCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FPFAIRHUFKAGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-12(10(2)20-16-9)17(3)5-6-18-8-15-11-4-7-21-13(11)14(18)19/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one?
3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 304.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 99775475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).