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

C19H23N5O — CID 169018021

IUPAC2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2cccc(C)c2C)n1
InChIInChI=1S/C19H23N5O/c1-5-16-10-18(25)22-19(21-16)24-17(9-13(3)23-24)20-11-15-8-6-7-12(2)14(15)4/h6-10,20H,5,11H2,1-4H3,(H,21,22,25)
InChIKeyJEMDKQMRHLWVHP-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.06
Rot. Bonds5

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

2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 169018021) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID169018021
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2cccc(C)c2C)n1
InChIInChI=1S/C19H23N5O/c1-5-16-10-18(25)22-19(21-16)24-17(9-13(3)23-24)20-11-15-8-6-7-12(2)14(15)4/h6-10,20H,5,11H2,1-4H3,(H,21,22,25)
InChIKeyJEMDKQMRHLWVHP-UHFFFAOYSA-N
XLogP3.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (CID 169018021) is 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2cccc(C)c2C)n1.
What is the InChIKey of 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is JEMDKQMRHLWVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-16-10-18(25)22-19(21-16)24-17(9-13(3)23-24)20-11-15-8-6-7-12(2)14(15)4/h6-10,20H,5,11H2,1-4H3,(H,21,22,25).
What are the key properties of 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 337.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dimethylphenyl)methylamino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 169018021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).