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

C23H25N3O2 — CID 66550322

IUPAC5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccnc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H25N3O2/c1-15-11-12-24-19(13-15)14-20-21(25-23(28)26-22(20)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H2,25,26,27,28)
InChIKeyZSZHVQVCDQTXLM-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.80
Rot. Bonds4

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

5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 66550322) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID66550322
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccnc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H25N3O2/c1-15-11-12-24-19(13-15)14-20-21(25-23(28)26-22(20)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H2,25,26,27,28)
InChIKeyZSZHVQVCDQTXLM-UHFFFAOYSA-N
XLogP3.80
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 66550322) is 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is Cc1ccnc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZSZHVQVCDQTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-11-12-24-19(13-15)14-20-21(25-23(28)26-22(20)27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-6,11-13,17-18H,7-10,14H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 375.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).