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

C13H15N5O2 — CID 171995481

IUPAC6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccnc(N2CCc3nc(C)[nH]c(=O)c3C2)n1
InChIInChI=1S/C13H15N5O2/c1-8-15-10-4-6-18(7-9(10)12(19)16-8)13-14-5-3-11(17-13)20-2/h3,5H,4,6-7H2,1-2H3,(H,15,16,19)
InChIKeyAJGSFRPVAHGPJY-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.44
Rot. Bonds2

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

6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 171995481) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID171995481
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccnc(N2CCc3nc(C)[nH]c(=O)c3C2)n1
InChIInChI=1S/C13H15N5O2/c1-8-15-10-4-6-18(7-9(10)12(19)16-8)13-14-5-3-11(17-13)20-2/h3,5H,4,6-7H2,1-2H3,(H,15,16,19)
InChIKeyAJGSFRPVAHGPJY-UHFFFAOYSA-N
XLogP0.44
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 171995481) is 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccnc(N2CCc3nc(C)[nH]c(=O)c3C2)n1.
What is the InChIKey of 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AJGSFRPVAHGPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8-15-10-4-6-18(7-9(10)12(19)16-8)13-14-5-3-11(17-13)20-2/h3,5H,4,6-7H2,1-2H3,(H,15,16,19).
What are the key properties of 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 273.30 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxypyrimidin-2-yl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 171995481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).