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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Related Compounds

5-ethyl-4-hydroxy-2-(2-phenyltriazol-4-yl)-1H-pyrimidin-6-one
CID 63611281
5-ethyl-4-hydroxy-2-(1H-1,2,4-triazol-5-yl)-1H-pyrimidin-6-one
CID 63613790
5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692282
2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216244
2-(5-bromo-2-pyridinyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113393855
4-methoxy-6-(1-methylpyrazol-4-yl)-1H-1,3,5-triazin-2-one
CID 106515838
2-(1-benzofuran-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63613792
5-ethyl-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845080
5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 114206320
2-(5-ethylfuran-2-yl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63613819
2-(4-bromo-5-methylthiophen-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 102842311
2-(3,4-dihydroxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 136889104

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).