2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C14H17N5OS — CID 102805396

IUPAC2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nn(C)cc1NCc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C14H17N5OS/c1-7-9(3)21-14-12(7)13(20)16-11(17-14)5-15-10-6-19(4)18-8(10)2/h6,15H,5H2,1-4H3,(H,16,17,20)
InChIKeyLUVIXIRMSFFCBU-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.26
Rot. Bonds3

About 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 102805396) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID102805396
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nn(C)cc1NCc1nc2sc(C)c(C)c2c(=O)[nH]1
InChIInChI=1S/C14H17N5OS/c1-7-9(3)21-14-12(7)13(20)16-11(17-14)5-15-10-6-19(4)18-8(10)2/h6,15H,5H2,1-4H3,(H,16,17,20)
InChIKeyLUVIXIRMSFFCBU-UHFFFAOYSA-N
XLogP2.26
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5,6-dimethyl-2-[(3-methylpentan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 103864801
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]-2-methylpropanamide
CID 61220767
5,6-dimethyl-2-[[(5-methylthiophen-2-yl)methylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 62054161
5,6-dimethyl-2-[(2-methylpentan-3-ylamino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 61469558
2-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60694076
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82937975
2-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 106175470
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]acetamide
CID 43090388
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
2-[(4-hydroxypentylamino)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 106131198
2-[[3-(diethylamino)propylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39147308
2-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 114942058

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 102805396) is 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nn(C)cc1NCc1nc2sc(C)c(C)c2c(=O)[nH]1.
What is the InChIKey of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LUVIXIRMSFFCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-7-9(3)21-14-12(7)13(20)16-11(17-14)5-15-10-6-19(4)18-8(10)2/h6,15H,5H2,1-4H3,(H,16,17,20).
What are the key properties of 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 303.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 102805396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).