1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione

C17H20N4O3 — CID 135969950

IUPAC1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(C2=NNC(c3ccccc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N4O3/c1-2-3-9-21-16(23)14(15(22)18-17(21)24)13-10-12(19-20-13)11-7-5-4-6-8-11/h4-8,12,19,23H,2-3,9-10H2,1H3,(H,18,22,24)
InChIKeyAMMFSSNXYFRCSD-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.48
Rot. Bonds5

About 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione

1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione (PubChem CID 135969950) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
PubChem CID135969950
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione
SMILESCCCCn1c(O)c(C2=NNC(c3ccccc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H20N4O3/c1-2-3-9-21-16(23)14(15(22)18-17(21)24)13-10-12(19-20-13)11-7-5-4-6-8-11/h4-8,12,19,23H,2-3,9-10H2,1H3,(H,18,22,24)
InChIKeyAMMFSSNXYFRCSD-UHFFFAOYSA-N
XLogP1.48
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione (CID 135969950) is 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione is CCCCn1c(O)c(C2=NNC(c3ccccc3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione?
The InChIKey is AMMFSSNXYFRCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-2-3-9-21-16(23)14(15(22)18-17(21)24)13-10-12(19-20-13)11-7-5-4-6-8-11/h4-8,12,19,23H,2-3,9-10H2,1H3,(H,18,22,24).
What are the key properties of 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione?
1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-hydroxy-5-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 135969950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).