5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C15H23N5O — CID 136963125

IUPAC5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCc1nn(C)cc1CNC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C15H23N5O/c1-6-13-12(8-20(5)19-13)7-16-9(2)14-10(3)17-11(4)18-15(14)21/h8-9,16H,6-7H2,1-5H3,(H,17,18,21)
InChIKeyODTHSWJCBHAPCZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.53
Rot. Bonds5

About 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136963125) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136963125
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCc1nn(C)cc1CNC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C15H23N5O/c1-6-13-12(8-20(5)19-13)7-16-9(2)14-10(3)17-11(4)18-15(14)21/h8-9,16H,6-7H2,1-5H3,(H,17,18,21)
InChIKeyODTHSWJCBHAPCZ-UHFFFAOYSA-N
XLogP1.53
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549544
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103894057
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 115885783
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
2,4-dimethyl-5-[1-(pyridazin-3-ylmethylamino)ethyl]-1H-pyrimidin-6-one
CID 136827793
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 112549539
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 113348148

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136963125) is 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is CCc1nn(C)cc1CNC(C)c1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ODTHSWJCBHAPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-13-12(8-20(5)19-13)7-16-9(2)14-10(3)17-11(4)18-15(14)21/h8-9,16H,6-7H2,1-5H3,(H,17,18,21).
What are the key properties of 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 289.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).