5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

C24H26N2O3 — CID 66550524

IUPAC5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1Cc1c(C2CCC(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)
InChIKeyNDLLRHKTGJQNKH-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.10
Rot. Bonds5

About 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 66550524) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID66550524
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCOc1ccccc1Cc1c(C2CCC(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28)
InChIKeyNDLLRHKTGJQNKH-UHFFFAOYSA-N
XLogP4.10
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 66550524) is 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is COc1ccccc1Cc1c(C2CCC(c3ccccc3)CC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is NDLLRHKTGJQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-29-21-10-6-5-9-19(21)15-20-22(25-24(28)26-23(20)27)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-10,17-18H,11-15H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 390.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).