5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

C15H19N5O2 — CID 163274132

IUPAC5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2C)C1
InChIInChI=1S/C15H19N5O2/c1-3-10-4-5-20(8-10)13-6-12(19-18-9(13)2)11-7-16-15(22)17-14(11)21/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17,21,22)/t10-/m0/s1
InChIKeyLTPMGEPOZDCJBC-JTQLQIEISA-N
MW301.35 g/mol
LogP1.06
Rot. Bonds3

About 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 163274132) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID163274132
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2C)C1
InChIInChI=1S/C15H19N5O2/c1-3-10-4-5-20(8-10)13-6-12(19-18-9(13)2)11-7-16-15(22)17-14(11)21/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17,21,22)/t10-/m0/s1
InChIKeyLTPMGEPOZDCJBC-JTQLQIEISA-N
XLogP1.06
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 163274132) is 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is CC[C@H]1CCN(c2cc(-c3c[nH]c(=O)[nH]c3=O)nnc2C)C1.
What is the InChIKey of 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is LTPMGEPOZDCJBC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-10-4-5-20(8-10)13-6-12(19-18-9(13)2)11-7-16-15(22)17-14(11)21/h6-7,10H,3-5,8H2,1-2H3,(H2,16,17,21,22)/t10-/m0/s1.
What are the key properties of 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(3S)-3-ethylpyrrolidin-1-yl]-6-methylpyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 163274132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).