7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C13H12N4OS — CID 146130098

IUPAC7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccnc(Cn2cnc3c(C)csc3c2=O)n1
InChIInChI=1S/C13H12N4OS/c1-8-6-19-12-11(8)15-7-17(13(12)18)5-10-14-4-3-9(2)16-10/h3-4,6-7H,5H2,1-2H3
InChIKeyKHUJYQZRUWTDLH-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.91
Rot. Bonds2

About 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one

7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 146130098) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID146130098
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccnc(Cn2cnc3c(C)csc3c2=O)n1
InChIInChI=1S/C13H12N4OS/c1-8-6-19-12-11(8)15-7-17(13(12)18)5-10-14-4-3-9(2)16-10/h3-4,6-7H,5H2,1-2H3
InChIKeyKHUJYQZRUWTDLH-UHFFFAOYSA-N
XLogP1.91
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
3-(1,3-benzothiazol-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685839
7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 135891005
7-methyl-3-[[4-(methylamino)-2-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 102685489
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-[(2,6-dichlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685639
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685671
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-[(3-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685652
3-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]pyridine-2-carbonitrile
CID 102685743

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 146130098) is 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1ccnc(Cn2cnc3c(C)csc3c2=O)n1.
What is the InChIKey of 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KHUJYQZRUWTDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8-6-19-12-11(8)15-7-17(13(12)18)5-10-14-4-3-9(2)16-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 146130098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).