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

C16H18N2O3 — CID 115948498

IUPAC6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
SMILESCC1(n2c(O)c(-c3ccccc3)c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C16H18N2O3/c1-16(9-5-6-10-16)18-14(20)12(13(19)17-15(18)21)11-7-3-2-4-8-11/h2-4,7-8,20H,5-6,9-10H2,1H3,(H,17,19,21)
InChIKeyHJBUHXHVTGRJPM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.20
Rot. Bonds2

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

6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione (PubChem CID 115948498) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
PubChem CID115948498
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione
SMILESCC1(n2c(O)c(-c3ccccc3)c(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C16H18N2O3/c1-16(9-5-6-10-16)18-14(20)12(13(19)17-15(18)21)11-7-3-2-4-8-11/h2-4,7-8,20H,5-6,9-10H2,1H3,(H,17,19,21)
InChIKeyHJBUHXHVTGRJPM-UHFFFAOYSA-N
XLogP2.20
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione (CID 115948498) is 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione is CC1(n2c(O)c(-c3ccccc3)c(=O)[nH]c2=O)CCCC1.
What is the InChIKey of 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione?
The InChIKey is HJBUHXHVTGRJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(9-5-6-10-16)18-14(20)12(13(19)17-15(18)21)11-7-3-2-4-8-11/h2-4,7-8,20H,5-6,9-10H2,1H3,(H,17,19,21).
What are the key properties of 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione?
6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(1-methylcyclopentyl)-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115948498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).