5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione

C23H22N2O2 — CID 90208791

IUPAC5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2=CC[C@H](c3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H22N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,13,18H,11-12,14-15H2,(H2,24,25,26,27)/t18-/m0/s1
InChIKeyMMMKDSDHGYSWTI-SFHVURJKSA-N
MW358.44 g/mol
LogP4.01
Rot. Bonds4

About 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione

5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione (PubChem CID 90208791) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione
PubChem CID90208791
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2=CC[C@H](c3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C23H22N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,13,18H,11-12,14-15H2,(H2,24,25,26,27)/t18-/m0/s1
InChIKeyMMMKDSDHGYSWTI-SFHVURJKSA-N
XLogP4.01
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione (CID 90208791) is 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2=CC[C@H](c3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MMMKDSDHGYSWTI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22-20(15-16-7-3-1-4-8-16)21(24-23(27)25-22)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-10,13,18H,11-12,14-15H2,(H2,24,25,26,27)/t18-/m0/s1.
What are the key properties of 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione?
5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-[(4R)-4-phenylcyclohexen-1-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90208791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).