6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C15H21N5O2 — CID 91829573

IUPAC6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCCC(c3ccn[nH]3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N5O2/c1-11-9-14(21)20(15(22)17-11)8-7-19-6-2-3-12(10-19)13-4-5-16-18-13/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,16,18)(H,17,22)
InChIKeyQOZHIPJQDLSJLA-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.45
Rot. Bonds4

About 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 91829573) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID91829573
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCCC(c3ccn[nH]3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N5O2/c1-11-9-14(21)20(15(22)17-11)8-7-19-6-2-3-12(10-19)13-4-5-16-18-13/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,16,18)(H,17,22)
InChIKeyQOZHIPJQDLSJLA-UHFFFAOYSA-N
XLogP0.45
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 91829573) is 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN2CCCC(c3ccn[nH]3)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QOZHIPJQDLSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-9-14(21)20(15(22)17-11)8-7-19-6-2-3-12(10-19)13-4-5-16-18-13/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,16,18)(H,17,22).
What are the key properties of 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 303.37 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91829573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).