2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one

C20H29N5O2 — CID 16835806

IUPAC2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C20H29N5O2/c1-6-17-16(5)21-20(25-15(4)11-14(3)22-25)24(19(17)27)12-18(26)23-9-7-13(2)8-10-23/h11,13H,6-10,12H2,1-5H3
InChIKeyURPBTAIXAGEDRW-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.18
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one

2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 16835806) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
PubChem CID16835806
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N2CCC(C)CC2)c1=O
InChIInChI=1S/C20H29N5O2/c1-6-17-16(5)21-20(25-15(4)11-14(3)22-25)24(19(17)27)12-18(26)23-9-7-13(2)8-10-23/h11,13H,6-10,12H2,1-5H3
InChIKeyURPBTAIXAGEDRW-UHFFFAOYSA-N
XLogP2.18
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6-dimethylpyrimidin-4-one
CID 7588278
2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 22586478
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 41106928
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-propylpyrimidin-4-one
CID 7588292
[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 50745195
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 22586479
[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146052138
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
CID 7386765
2-ethyl-7-methyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840117
2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7386744
N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7588260
1-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 91771971

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one (CID 16835806) is 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one is CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)N2CCC(C)CC2)c1=O.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is URPBTAIXAGEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-6-17-16(5)21-20(25-15(4)11-14(3)22-25)24(19(17)27)12-18(26)23-9-7-13(2)8-10-23/h11,13H,6-10,12H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 371.49 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-6-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 16835806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).