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

C17H26N4O3 — CID 135674366

IUPAC2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C(C)C)C3)CC(C)O1
InChIInChI=1S/C17H26N4O3/c1-10(2)16(23)20-6-5-13-14(9-20)18-17(19-15(13)22)21-7-11(3)24-12(4)8-21/h10-12H,5-9H2,1-4H3,(H,18,19,22)
InChIKeyBRRLCKWWNVVEQR-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.92
Rot. Bonds2

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

2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135674366) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135674366
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C(C)C)C3)CC(C)O1
InChIInChI=1S/C17H26N4O3/c1-10(2)16(23)20-6-5-13-14(9-20)18-17(19-15(13)22)21-7-11(3)24-12(4)8-21/h10-12H,5-9H2,1-4H3,(H,18,19,22)
InChIKeyBRRLCKWWNVVEQR-UHFFFAOYSA-N
XLogP0.92
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135674366) is 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CN(c2nc3c(c(=O)[nH]2)CCN(C(=O)C(C)C)C3)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BRRLCKWWNVVEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-10(2)16(23)20-6-5-13-14(9-20)18-17(19-15(13)22)21-7-11(3)24-12(4)8-21/h10-12H,5-9H2,1-4H3,(H,18,19,22).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135674366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).