2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one

C10H13N5O — CID 135876292

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2N)n1
InChIInChI=1S/C10H13N5O/c1-3-7-5-9(16)13-10(12-7)15-8(11)4-6(2)14-15/h4-5H,3,11H2,1-2H3,(H,12,13,16)
InChIKeyXPEUDXYKRDHTJB-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.41
Rot. Bonds2

About 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one

2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135876292) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID135876292
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2N)n1
InChIInChI=1S/C10H13N5O/c1-3-7-5-9(16)13-10(12-7)15-8(11)4-6(2)14-15/h4-5H,3,11H2,1-2H3,(H,12,13,16)
InChIKeyXPEUDXYKRDHTJB-UHFFFAOYSA-N
XLogP0.41
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,6-pyrimidinediol
CID 1210988
3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-1,2,4-triazin-5-ol
CID 135447992
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-isopropylpyrimidin-4(3H)-one
CID 135984534
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984533
2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136740737
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 162660614
4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)-1H-pyrimidin-6-one
CID 162662513

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one (CID 135876292) is 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is XPEUDXYKRDHTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-3-7-5-9(16)13-10(12-7)15-8(11)4-6(2)14-15/h4-5H,3,11H2,1-2H3,(H,12,13,16).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one?
2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 219.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).