4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one

C14H14N4OS — CID 35790455

IUPAC4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ncnc3ccsc23)c(=O)[nH]1
InChIInChI=1S/C14H14N4OS/c1-8-5-9(2)18-14(19)10(8)6-15-13-12-11(3-4-20-12)16-7-17-13/h3-5,7H,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIGUCLUCNUDJZBB-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.61
Rot. Bonds3

About 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one (PubChem CID 35790455) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
PubChem CID35790455
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(CNc2ncnc3ccsc23)c(=O)[nH]1
InChIInChI=1S/C14H14N4OS/c1-8-5-9(2)18-14(19)10(8)6-15-13-12-11(3-4-20-12)16-7-17-13/h3-5,7H,6H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyIGUCLUCNUDJZBB-UHFFFAOYSA-N
XLogP2.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one (CID 35790455) is 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one is Cc1cc(C)c(CNc2ncnc3ccsc23)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
The InChIKey is IGUCLUCNUDJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8-5-9(2)18-14(19)10(8)6-15-13-12-11(3-4-20-12)16-7-17-13/h3-5,7H,6H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one has a molecular weight of 286.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 35790455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).