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

C14H20N4O — CID 136677185

IUPAC4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1cc(-c2nc(CC(C)C)cc(=O)[nH]2)cn1
InChIInChI=1S/C14H20N4O/c1-4-5-18-9-11(8-15-18)14-16-12(6-10(2)3)7-13(19)17-14/h7-10H,4-6H2,1-3H3,(H,16,17,19)
InChIKeyANZCVXUFLFKDOU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.24
Rot. Bonds5

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

4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136677185) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136677185
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1cc(-c2nc(CC(C)C)cc(=O)[nH]2)cn1
InChIInChI=1S/C14H20N4O/c1-4-5-18-9-11(8-15-18)14-16-12(6-10(2)3)7-13(19)17-14/h7-10H,4-6H2,1-3H3,(H,16,17,19)
InChIKeyANZCVXUFLFKDOU-UHFFFAOYSA-N
XLogP2.24
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877750
5-iodo-4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677186
4-(chloromethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
CID 136713380
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 95732712
2-(5-chloro-1-methylimidazol-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136932085
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313
2-(3-bromo-4-methylphenyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136701879
2-(1-propylpyrazol-4-yl)-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136677188
2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136930699
8-[1-(2-hydroxyethyl)pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione
CID 22266739
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877703

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136677185) is 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one is CCCn1cc(-c2nc(CC(C)C)cc(=O)[nH]2)cn1.
What is the InChIKey of 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is ANZCVXUFLFKDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-18-9-11(8-15-18)14-16-12(6-10(2)3)7-13(19)17-14/h7-10H,4-6H2,1-3H3,(H,16,17,19).
What are the key properties of 4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 260.34 g/mol, XLogP of 2.24, 5 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-propylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136677185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).