4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C12H16N4O — CID 137008843

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2cc(=O)[nH]c(C(C)C)n2)n1
InChIInChI=1S/C12H16N4O/c1-7(2)12-13-10(6-11(17)14-12)16-9(4)5-8(3)15-16/h5-7H,1-4H3,(H,13,14,17)
InChIKeyBOMIPTBYIALRNJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.70
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137008843) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137008843
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2cc(=O)[nH]c(C(C)C)n2)n1
InChIInChI=1S/C12H16N4O/c1-7(2)12-13-10(6-11(17)14-12)16-9(4)5-8(3)15-16/h5-7H,1-4H3,(H,13,14,17)
InChIKeyBOMIPTBYIALRNJ-UHFFFAOYSA-N
XLogP1.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-[3,5-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 137007417
4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008940
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973398
3-(3,5-dimethylpyrazol-1-yl)-1H-pyridazin-6-one
CID 687076
2-propan-2-yl-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822018
4-(4-tert-butylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009379
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 137008265
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-1,2,4-triazole-3-carbothioamide
CID 136989787
4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one
CID 162648550
4-(3-ethyl-3-hydroxyazetidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979715

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 137008843) is 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1cc(C)n(-c2cc(=O)[nH]c(C(C)C)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BOMIPTBYIALRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-7(2)12-13-10(6-11(17)14-12)16-9(4)5-8(3)15-16/h5-7H,1-4H3,(H,13,14,17).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).