7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol

C23H21Cl2N3O — CID 142241678

IUPAC7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol
SMILESOC1(c2ccncn2)CC2CCC1N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C23H21Cl2N3O/c24-18-7-3-1-5-16(18)22(17-6-2-4-8-19(17)25)28-15-9-10-21(28)23(29,13-15)20-11-12-26-14-27-20/h1-8,11-12,14-15,21-22,29H,9-10,13H2
InChIKeyRSEVKABDKYTKCW-UHFFFAOYSA-N
MW426.35 g/mol
LogP5.00
Rot. Bonds4

About 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol

7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol (PubChem CID 142241678) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol
PubChem CID142241678
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol
SMILESOC1(c2ccncn2)CC2CCC1N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C23H21Cl2N3O/c24-18-7-3-1-5-16(18)22(17-6-2-4-8-19(17)25)28-15-9-10-21(28)23(29,13-15)20-11-12-26-14-27-20/h1-8,11-12,14-15,21-22,29H,9-10,13H2
InChIKeyRSEVKABDKYTKCW-UHFFFAOYSA-N
XLogP5.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 22725100
7-[bis(2-chlorophenyl)methyl]-2-(1,5-dihydroimidazol-3-ium-2-yl)-7-azabicyclo[2.2.1]heptan-2-ol
CID 163751964
N-[[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 44562654
[(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 118718267
8-[bis(2-chlorophenyl)methyl]-3-(4-piperazin-1-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 22725085
N-[[(1S,5R)-8-[bis(2-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118718282
8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane
CID 44574706
7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 143452892
8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
CID 56660325
8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 71196947
8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 44574962
8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol
CID 91539220

Frequently Asked Questions

What is the IUPAC name of 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol (CID 142241678) is 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol is OC1(c2ccncn2)CC2CCC1N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol?
The InChIKey is RSEVKABDKYTKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/c24-18-7-3-1-5-16(18)22(17-6-2-4-8-19(17)25)28-15-9-10-21(28)23(29,13-15)20-11-12-26-14-27-20/h1-8,11-12,14-15,21-22,29H,9-10,13H2.
What are the key properties of 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol?
7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol has a molecular weight of 426.35 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 142241678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).