2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H15N5OS — CID 171996351

IUPAC2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(c1ncnc3c(C)csc13)CC2
InChIInChI=1S/C15H15N5OS/c1-8-6-22-13-12(8)16-7-17-14(13)20-4-3-11-10(5-20)15(21)19-9(2)18-11/h6-7H,3-5H2,1-2H3,(H,18,19,21)
InChIKeyDFIXQIFKZSCBBR-UHFFFAOYSA-N
MW313.39 g/mol
LogP1.95
Rot. Bonds1

About 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 171996351) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID171996351
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(c1ncnc3c(C)csc13)CC2
InChIInChI=1S/C15H15N5OS/c1-8-6-22-13-12(8)16-7-17-14(13)20-4-3-11-10(5-20)15(21)19-9(2)18-11/h6-7H,3-5H2,1-2H3,(H,18,19,21)
InChIKeyDFIXQIFKZSCBBR-UHFFFAOYSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 171996351) is 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(c1ncnc3c(C)csc13)CC2.
What is the InChIKey of 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is DFIXQIFKZSCBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-8-6-22-13-12(8)16-7-17-14(13)20-4-3-11-10(5-20)15(21)19-9(2)18-11/h6-7H,3-5H2,1-2H3,(H,18,19,21).
What are the key properties of 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 313.39 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 171996351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).