6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione

C16H20N2O3 — CID 115948124

IUPAC6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
SMILESCC(C)CCCn1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-11(2)7-6-10-18-15(20)13(14(19)17-16(18)21)12-8-4-3-5-9-12/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,17,19,21)
InChIKeyRBUNXIHNIAERBB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.35
Rot. Bonds5

About 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione

6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione (PubChem CID 115948124) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
PubChem CID115948124
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
SMILESCC(C)CCCn1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3/c1-11(2)7-6-10-18-15(20)13(14(19)17-16(18)21)12-8-4-3-5-9-12/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,17,19,21)
InChIKeyRBUNXIHNIAERBB-UHFFFAOYSA-N
XLogP2.35
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
CID 115946168
1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962
azane;5-[6-hydroxy-1-(4-methylpentyl)-2,4-dioxopyrimidin-5-yl]-3-(4-methylpentyl)-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
CID 131666911
1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 115948298
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione (CID 115948124) is 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione is CC(C)CCCn1c(O)c(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione?
The InChIKey is RBUNXIHNIAERBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)7-6-10-18-15(20)13(14(19)17-16(18)21)12-8-4-3-5-9-12/h3-5,8-9,11,20H,6-7,10H2,1-2H3,(H,17,19,21).
What are the key properties of 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione?
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115948124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).