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

C16H24N4O2 — CID 137095089

IUPAC7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)C(=O)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)14(22)20-9-6-11-12(10-20)17-15(18-13(11)21)19-7-4-5-8-19/h4-10H2,1-3H3,(H,17,18,21)
InChIKeyTXSBJBZUFZCZKF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.30
Rot. Bonds1

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

7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137095089) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137095089
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)(C)C(=O)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)14(22)20-9-6-11-12(10-20)17-15(18-13(11)21)19-7-4-5-8-19/h4-10H2,1-3H3,(H,17,18,21)
InChIKeyTXSBJBZUFZCZKF-UHFFFAOYSA-N
XLogP1.30
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137095089) is 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)(C)C(=O)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1.
What is the InChIKey of 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is TXSBJBZUFZCZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-16(2,3)14(22)20-9-6-11-12(10-20)17-15(18-13(11)21)19-7-4-5-8-19/h4-10H2,1-3H3,(H,17,18,21).
What are the key properties of 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropanoyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137095089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).