2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one

C18H25N5O3 — CID 7588292

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC(=O)N2CCOCC2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H25N5O3/c1-4-5-15-11-16(24)22(12-17(25)21-6-8-26-9-7-21)18(19-15)23-14(3)10-13(2)20-23/h10-11H,4-9,12H2,1-3H3
InChIKeyXRYMROFVTFCJJT-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.86
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one

2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one (PubChem CID 7588292) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one
PubChem CID7588292
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one
SMILESCCCc1cc(=O)n(CC(=O)N2CCOCC2)c(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H25N5O3/c1-4-5-15-11-16(24)22(12-17(25)21-6-8-26-9-7-21)18(19-15)23-14(3)10-13(2)20-23/h10-11H,4-9,12H2,1-3H3
InChIKeyXRYMROFVTFCJJT-UHFFFAOYSA-N
XLogP0.86
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
CID 7386765
N-(4-acetylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 7588341
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 41106928
diethyl 5-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 41017868
2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 16835806
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135413053
2-benzylsulfanyl-6-methyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 7748620
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one
CID 7588278
N-(2,3-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]acetamide
CID 18567052
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
4-amino-1-(2-morpholin-4-yl-2-oxoethyl)-5-propylpyrrole-2-carbonitrile
CID 100769143
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one (CID 7588292) is 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one is CCCc1cc(=O)n(CC(=O)N2CCOCC2)c(-n2nc(C)cc2C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one?
The InChIKey is XRYMROFVTFCJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-5-15-11-16(24)22(12-17(25)21-6-8-26-9-7-21)18(19-15)23-14(3)10-13(2)20-23/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one has a molecular weight of 359.43 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one is sourced from PubChem (CID 7588292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).