2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one

C24H26F3N3O — CID 164816523

IUPAC2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one
SMILESNC1NC(=O)C(Cc2cccc(C(F)(F)F)c2)=C(C2CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(29-23(28)30-22(20)31)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18,23,29H,9-12,14,28H2,(H,30,31)
InChIKeyZFCXFGUAWVNFDH-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.44
Rot. Bonds4

About 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one

2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 164816523) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID164816523
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one
SMILESNC1NC(=O)C(Cc2cccc(C(F)(F)F)c2)=C(C2CCC(c3ccccc3)CC2)N1
InChIInChI=1S/C24H26F3N3O/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(29-23(28)30-22(20)31)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18,23,29H,9-12,14,28H2,(H,30,31)
InChIKeyZFCXFGUAWVNFDH-UHFFFAOYSA-N
XLogP4.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-phenylcyclohexyl)-2-sulfanyl-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 141351279
1-(2-oxopropyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 175383711
4-(4-phenylcyclohexyl)-2-pyridin-1-ium-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-6-one
CID 172620796
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-(1,4-dioxan-2-yl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 175383767
4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 47003100
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohex-2-en-1-amine
CID 65171795
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one (CID 164816523) is 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one is NC1NC(=O)C(Cc2cccc(C(F)(F)F)c2)=C(C2CCC(c3ccccc3)CC2)N1.
What is the InChIKey of 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is ZFCXFGUAWVNFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c25-24(26,27)19-8-4-5-15(13-19)14-20-21(29-23(28)30-22(20)31)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-8,13,17-18,23,29H,9-12,14,28H2,(H,30,31).
What are the key properties of 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one?
2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 429.49 g/mol, XLogP of 4.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 164816523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).