7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H22N4O2 — CID 136707028

IUPAC7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)C(=O)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C15H22N4O2/c1-10(2)14(21)19-8-5-11-12(9-19)16-15(17-13(11)20)18-6-3-4-7-18/h10H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyYUOHMJAXKLCEDZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.91
Rot. Bonds2

About 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707028) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707028
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)C(=O)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C15H22N4O2/c1-10(2)14(21)19-8-5-11-12(9-19)16-15(17-13(11)20)18-6-3-4-7-18/h10H,3-9H2,1-2H3,(H,16,17,20)
InChIKeyYUOHMJAXKLCEDZ-UHFFFAOYSA-N
XLogP0.91
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707028) is 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)C(=O)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1.
What is the InChIKey of 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YUOHMJAXKLCEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)14(21)19-8-5-11-12(9-19)16-15(17-13(11)20)18-6-3-4-7-18/h10H,3-9H2,1-2H3,(H,16,17,20).
What are the key properties of 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 290.37 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).