4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

C14H20N4O — CID 136877750

IUPAC4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(-c2cnn(C(C)C)c2)n1
InChIInChI=1S/C14H20N4O/c1-9(2)5-12-6-13(19)17-14(16-12)11-7-15-18(8-11)10(3)4/h6-10H,5H2,1-4H3,(H,16,17,19)
InChIKeyJACZUHCYCZYAPA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds4

About 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136877750) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136877750
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)Cc1cc(=O)[nH]c(-c2cnn(C(C)C)c2)n1
InChIInChI=1S/C14H20N4O/c1-9(2)5-12-6-13(19)17-14(16-12)11-7-15-18(8-11)10(3)4/h6-10H,5H2,1-4H3,(H,16,17,19)
InChIKeyJACZUHCYCZYAPA-UHFFFAOYSA-N
XLogP2.41
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677185
4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877703
4-(chloromethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
CID 136713380
2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136932085
2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136701879
5-(2-hydroxyethyl)-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877721
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136930699
2-(4-chloro-2-methoxyphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136873196
4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole
CID 153414844
4-(2,6-diethyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153414805
methane;4-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 159150030
2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 86659391

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136877750) is 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is CC(C)Cc1cc(=O)[nH]c(-c2cnn(C(C)C)c2)n1.
What is the InChIKey of 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is JACZUHCYCZYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)5-12-6-13(19)17-14(16-12)11-7-15-18(8-11)10(3)4/h6-10H,5H2,1-4H3,(H,16,17,19).
What are the key properties of 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 260.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136877750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).