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

C15H22N4O3 — CID 172729049

IUPAC3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)C(=O)n1c(N2CCOCC2)nc2c(c1=O)CCNC2
InChIInChI=1S/C15H22N4O3/c1-10(2)13(20)19-14(21)11-3-4-16-9-12(11)17-15(19)18-5-7-22-8-6-18/h10,16H,3-9H2,1-2H3
InChIKeyHNUJFWAKZQOSOB-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.02
Rot. Bonds2

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

3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 172729049) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID172729049
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)C(=O)n1c(N2CCOCC2)nc2c(c1=O)CCNC2
InChIInChI=1S/C15H22N4O3/c1-10(2)13(20)19-14(21)11-3-4-16-9-12(11)17-15(19)18-5-7-22-8-6-18/h10,16H,3-9H2,1-2H3
InChIKeyHNUJFWAKZQOSOB-UHFFFAOYSA-N
XLogP0.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-Ethyl-6-methyl-2-morpholinopyrimidin-4-ol
CID 135402562
7-Methyl-2-(morpholin-4-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136880723
N-methyl-2-morpholin-4-yl-4-oxo-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepine-7-carboxamide
CID 136665473
N-(2-Methoxyethyl)-2-(4-methylpiperazin-1-YL)-4-oxo-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepine-7-carboxamide
CID 136665475
2-(dimethylamino)-N-(2-methoxyethyl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide
CID 136665900
7-(2-Methylpropanoyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136000256
2-(2,6-Dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674366
7-Cyclohexyl-2-(2,6-dimethylmorpholin-4-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719801
2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135880370
7-[2-(4-Methylpiperidin-1-yl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707015
5-ethyl-4-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761454
2-Morpholin-4-yl-7-(2-piperidin-1-ylacetyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137058264

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 172729049) is 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)C(=O)n1c(N2CCOCC2)nc2c(c1=O)CCNC2.
What is the InChIKey of 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HNUJFWAKZQOSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)13(20)19-14(21)11-3-4-16-9-12(11)17-15(19)18-5-7-22-8-6-18/h10,16H,3-9H2,1-2H3.
What are the key properties of 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172729049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).