5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C10H12N4O2 — CID 63611285

IUPAC5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cnn(C)c2)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-3-7-9(15)12-8(13-10(7)16)6-4-11-14(2)5-6/h4-5H,3H2,1-2H3,(H2,12,13,15,16)
InChIKeyLPOHCBPXWKEFBZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.44
Rot. Bonds2

About 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 63611285) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID63611285
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2cnn(C)c2)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-3-7-9(15)12-8(13-10(7)16)6-4-11-14(2)5-6/h4-5H,3H2,1-2H3,(H2,12,13,15,16)
InChIKeyLPOHCBPXWKEFBZ-UHFFFAOYSA-N
XLogP0.44
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 63611285) is 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is CCc1c(O)nc(-c2cnn(C)c2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is LPOHCBPXWKEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-7-9(15)12-8(13-10(7)16)6-4-11-14(2)5-6/h4-5H,3H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 220.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63611285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).