2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one

C19H25N3O2 — CID 892504

IUPAC2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C19H25N3O2/c1-15-18(17-7-4-3-5-8-17)19(23)20-16(2)22(15)10-6-9-21-11-13-24-14-12-21/h3-5,7-8H,6,9-14H2,1-2H3
InChIKeyCIUYHKNDGAOWOM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.25
Rot. Bonds5

About 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one

2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one (PubChem CID 892504) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one
PubChem CID892504
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one
SMILESCc1nc(=O)c(-c2ccccc2)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C19H25N3O2/c1-15-18(17-7-4-3-5-8-17)19(23)20-16(2)22(15)10-6-9-21-11-13-24-14-12-21/h3-5,7-8H,6,9-14H2,1-2H3
InChIKeyCIUYHKNDGAOWOM-UHFFFAOYSA-N
XLogP2.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxypropyl)-2,6-dimethyl-5-phenylpyrimidin-4(1H)-one
CID 658356
2,3,6-trimethyl-5-phenylpyrimidin-4(3H)-one
CID 776568
Methyl 2-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)acetate
CID 751754
1-benzyl-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 781510
1-(2-Hydroxyethyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 792606
Ethyl 4-(2,6-dimethyl-4-oxo-5-phenylpyrimidin-1-yl)butanoate
CID 2997544
4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(2-morpholinoethoxy)-3-phenyl-, hydrobromide
CID 87664
2,6-Dimethyl-1-(oxolan-2-ylmethyl)-5-phenylpyrimidin-4-one
CID 2929612
5,5-Dimethyl-2-(morpholin-4-ylmethyl)-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135465168
5,5-diethyl-2-(morpholinomethyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one
CID 135511520
2,6-dimethyl-5-phenyl-1-(2-piperidin-1-ylethyl)pyrimidin-4(1H)-one
CID 2303903
3-(2,4-Difluorophenyl)-1-(3-morpholin-4-ylpropyl)-4-oxopyrido[1,2-a]pyrimidin-1-ium-2-olate
CID 155665700

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one (CID 892504) is 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one is Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCN1CCOCC1.
What is the InChIKey of 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one?
The InChIKey is CIUYHKNDGAOWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-18(17-7-4-3-5-8-17)19(23)20-16(2)22(15)10-6-9-21-11-13-24-14-12-21/h3-5,7-8H,6,9-14H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one?
2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrimidin-4-one is sourced from PubChem (CID 892504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).