6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione

C22H23N3O2 — CID 66550321

IUPAC6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C22H23N3O2/c26-21-19(14-18-8-4-5-13-23-18)20(24-22(27)25-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-8,13,16-17H,9-12,14H2,(H2,24,25,26,27)
InChIKeyYNQFDXCTDZXURX-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.49
Rot. Bonds4

About 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione

6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 66550321) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID66550321
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccn2)c(=O)[nH]1
InChIInChI=1S/C22H23N3O2/c26-21-19(14-18-8-4-5-13-23-18)20(24-22(27)25-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-8,13,16-17H,9-12,14H2,(H2,24,25,26,27)
InChIKeyYNQFDXCTDZXURX-UHFFFAOYSA-N
XLogP3.49
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 66550321) is 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccn2)c(=O)[nH]1.
What is the InChIKey of 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YNQFDXCTDZXURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21-19(14-18-8-4-5-13-23-18)20(24-22(27)25-21)17-11-9-16(10-12-17)15-6-2-1-3-7-15/h1-8,13,16-17H,9-12,14H2,(H2,24,25,26,27).
What are the key properties of 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 361.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylcyclohexyl)-5-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).