5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C14H19N3O2S — CID 63363808

IUPAC5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CNC3CCCOC3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-14-12(8)13(18)16-11(17-14)6-15-10-4-3-5-19-7-10/h10,15H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyKVJLJYGGPRKYGM-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.87
Rot. Bonds3

About 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 63363808) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID63363808
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CNC3CCCOC3)[nH]c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-14-12(8)13(18)16-11(17-14)6-15-10-4-3-5-19-7-10/h10,15H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyKVJLJYGGPRKYGM-UHFFFAOYSA-N
XLogP1.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-2-[[(2-methyloxolan-3-yl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 82726389
3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(3-methylcyclohexyl)propanamide
CID 47077290
5,6-dimethyl-2-[(3-morpholin-4-ylpropylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 39148739
5,6-dimethyl-2-[(3-methylpentan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 103864801
5,6-dimethyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 62054161
5,6-dimethyl-2-[[(2S)-2-methylpiperidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2368549
3-cyclohexyl-1-cyclopentyl-1-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]urea
CID 1453278
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]-2-methylpropanamide
CID 61220767
3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-N-(1,1-dioxothian-3-yl)propanamide
CID 127319719
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]acetamide
CID 43090388
5,6-dimethyl-2-[(2-methylpentan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 61469558
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 63363808) is 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(CNC3CCCOC3)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KVJLJYGGPRKYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-9(2)20-14-12(8)13(18)16-11(17-14)6-15-10-4-3-5-19-7-10/h10,15H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 293.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(oxan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 63363808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).