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

C13H20N4O2 — CID 103483487

IUPAC3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCN1CCOCC1)CNCC2
InChIInChI=1S/C13H20N4O2/c18-13-11-1-2-14-9-12(11)15-10-17(13)4-3-16-5-7-19-8-6-16/h10,14H,1-9H2
InChIKeyLMFULUSRHPDFOM-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.78
Rot. Bonds3

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

3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483487) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483487
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCN1CCOCC1)CNCC2
InChIInChI=1S/C13H20N4O2/c18-13-11-1-2-14-9-12(11)15-10-17(13)4-3-16-5-7-19-8-6-16/h10,14H,1-9H2
InChIKeyLMFULUSRHPDFOM-UHFFFAOYSA-N
XLogP-0.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-(2-Methylpropanoyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136000256
3-[3-(2,2,2-Trifluoroethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483587
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483902
2-(2,6-Dimethylmorpholin-4-yl)-7-(2-methylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674366
2-morpholin-4-yl-4-oxo-N-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135880370
7-(2-propoxypropanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136112902
3-Chloro-4-morpholin-4-yl-4,5,6,7-tetrahydropyrido[3,4-d]pyrimidin-8-one
CID 87495589
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 135896979
2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136228139
3-(2-Methylpropanoyl)-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 172729049

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483487) is 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CCN1CCOCC1)CNCC2.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LMFULUSRHPDFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-13-11-1-2-14-9-12(11)15-10-17(13)4-3-16-5-7-19-8-6-16/h10,14H,1-9H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 264.33 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).