4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one

C12H17N5O — CID 103995437

IUPAC4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2cc(C)nc(C)n2)c(=O)c1N
InChIInChI=1S/C12H17N5O/c1-4-5-9-11(13)12(18)17(16-9)10-6-7(2)14-8(3)15-10/h6,16H,4-5,13H2,1-3H3
InChIKeyROMDWJRZYBOJNA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.11
Rot. Bonds3

About 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one

4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one (PubChem CID 103995437) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one
PubChem CID103995437
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2cc(C)nc(C)n2)c(=O)c1N
InChIInChI=1S/C12H17N5O/c1-4-5-9-11(13)12(18)17(16-9)10-6-7(2)14-8(3)15-10/h6,16H,4-5,13H2,1-3H3
InChIKeyROMDWJRZYBOJNA-UHFFFAOYSA-N
XLogP1.11
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(2-amino-6-methylpyrimidin-4-yl)acetohydrazide
CID 828068
2-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 12771908
3H-Pyrazol-3-one, 1,2-dihydro-5-methyl-2-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074010
3-Methyl-1-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]-1h-pyrazol-5-ol
CID 129765602
5-Hydroxy-3-methyl-1-(6-methyl-2-methyl-sulfanylpyrimidin-4-yl)pyrazole
CID 129771385
5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 66021097
5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one
CID 66021669
2-(2,6-dimethylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 79822557
2-(2,6-dimethylpyrimidin-4-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 79822738
5-(difluoromethyl)-2-(2,6-dimethylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 79822824
1-(4,6-dimethylpyrimidin-2-yl)-4-ethyl-3-methyl-1H-pyrazol-5-ol
CID 16421705
Pyrazol-3-one,2(4,6-ME4pyrimid)5ME
CID 12771917

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one (CID 103995437) is 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one is CCCc1[nH]n(-c2cc(C)nc(C)n2)c(=O)c1N.
What is the InChIKey of 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one?
The InChIKey is ROMDWJRZYBOJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-5-9-11(13)12(18)17(16-9)10-6-7(2)14-8(3)15-10/h6,16H,4-5,13H2,1-3H3.
What are the key properties of 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one?
4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one has a molecular weight of 247.30 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-dimethylpyrimidin-4-yl)-5-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).