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

C11H15N5O — CID 135876298

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2N)n1
InChIInChI=1S/C11H15N5O/c1-3-4-8-6-10(17)14-11(13-8)16-9(12)5-7(2)15-16/h5-6H,3-4,12H2,1-2H3,(H,13,14,17)
InChIKeyVAKSWEIXCMUADN-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.80
Rot. Bonds3

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

2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135876298) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID135876298
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(-n2nc(C)cc2N)n1
InChIInChI=1S/C11H15N5O/c1-3-4-8-6-10(17)14-11(13-8)16-9(12)5-7(2)15-16/h5-6H,3-4,12H2,1-2H3,(H,13,14,17)
InChIKeyVAKSWEIXCMUADN-UHFFFAOYSA-N
XLogP0.80
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.80
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
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
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
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-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162645681
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-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one (CID 135876298) is 2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(-n2nc(C)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is VAKSWEIXCMUADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-4-8-6-10(17)14-11(13-8)16-9(12)5-7(2)15-16/h5-6H,3-4,12H2,1-2H3,(H,13,14,17).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one?
2-(5-amino-3-methylpyrazol-1-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 233.27 g/mol, XLogP of 0.80, 3 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).