5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

C22H22ClN3O2 — CID 66550098

IUPAC5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1
InChIInChI=1S/C22H22ClN3O2/c23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28)
InChIKeyRIWSMIONNFIVIX-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.14
Rot. Bonds4

About 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 66550098) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID66550098
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1
InChIInChI=1S/C22H22ClN3O2/c23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28)
InChIKeyRIWSMIONNFIVIX-UHFFFAOYSA-N
XLogP4.14
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
CID 138490227
4-(4-chlorophenyl)-N-(3-pyridinylmethyl)cyclohexanecarboxamide
CID 2815214
4-(4-chlorophenyl)-N-(4-pyridinylmethyl)cyclohexanecarboxamide
CID 2815215
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)benzamide
CID 11451387
4-(3-(2-chlorophenyl)propanamido)-N,N-diisopropyl-3-phenyl-2-(pyridin-3-yl)butanamide
CID 16068194
4-(3-(2-chlorobenzyl)ureido)-N,N-diisopropyl-3-phenyl-2-(pyridin-3-yl)butanamide
CID 16068198
2-(4-tert-butylphenyl)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]acetamide
CID 24765307
3-chloro-5-[6-(3-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529836
3-chloro-5-[6-(4-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529837
3-chloro-5-[6-(2-chlorophenyl)-3-pyridinyl]-2,6-dimethyl-1H-pyridin-4-one
CID 44529840
5-[(6-methyl-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550094

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 66550098) is 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RIWSMIONNFIVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28).
What are the key properties of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 395.89 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).